methyl 4-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate

C20H22N6O3S2 — CID 134155876

IUPACmethyl 4-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2ccc(Nc3nc(-c4sc(C)nc4C)cs3)nc2)CC1
InChIInChI=1S/C20H22N6O3S2/c1-12-17(31-13(2)22-12)15-11-30-19(23-15)24-16-5-4-14(10-21-16)18(27)25-6-8-26(9-7-25)20(28)29-3/h4-5,10-11H,6-9H2,1-3H3,(H,21,23,24)
InChIKeyFYQUCEXWWNQYPV-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.55
Rot. Bonds4

About methyl 4-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate

methyl 4-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 134155876) has the molecular formula C20H22N6O3S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is methyl 4-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate
PubChem CID134155876
Molecular FormulaC20H22N6O3S2
Molecular Weight458.57 g/mol
Exact Mass458.12
IUPAC Namemethyl 4-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2ccc(Nc3nc(-c4sc(C)nc4C)cs3)nc2)CC1
InChIInChI=1S/C20H22N6O3S2/c1-12-17(31-13(2)22-12)15-11-30-19(23-15)24-16-5-4-14(10-21-16)18(27)25-6-8-26(9-7-25)20(28)29-3/h4-5,10-11H,6-9H2,1-3H3,(H,21,23,24)
InChIKeyFYQUCEXWWNQYPV-UHFFFAOYSA-N
XLogP3.55
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 4-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate with MolForge

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Related Compounds

N-(2-Aminoethyl)-5-(2-{[4-(Morpholin-4-Yl)pyridin-2-Yl]amino}-1,3-Thiazol-5-Yl)pyridine-3-Carboxamide
CID 15980109
2-Ethyl-9-methyl-13-[2-(1,3-thiazol-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470733
5-(2-{[4-(4-acetylpiperazin-1-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)-N-(2-aminoethyl)nicotinamide
CID 15979751
N-(2-aminoethyl)-5-[2-[[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15979868
N-(2-aminoethyl)-5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15979870
N-[2-(methylamino)ethyl]-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980347
N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980349
N-(2-aminoethyl)-5-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 57867446
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137654148
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[2-(trifluoromethyl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137660008
6'-(3-Ethylureido)-4'-(4-(trifluoromethyl)thiazol-2-yl)-3,3'-bipyridine-5-carboxamide
CID 59208340
Dipyridodiazepinone deriv. 46
CID 463566

Frequently Asked Questions

What is the IUPAC name of methyl 4-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate (CID 134155876) is methyl 4-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)c2ccc(Nc3nc(-c4sc(C)nc4C)cs3)nc2)CC1.
What is the InChIKey of methyl 4-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is FYQUCEXWWNQYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S2/c1-12-17(31-13(2)22-12)15-11-30-19(23-15)24-16-5-4-14(10-21-16)18(27)25-6-8-26(9-7-25)20(28)29-3/h4-5,10-11H,6-9H2,1-3H3,(H,21,23,24).
What are the key properties of methyl 4-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate?
methyl 4-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 458.57 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 134155876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).