N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide

C18H19N5OS — CID 56751861

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCCC(NC(=O)c1cnc(-c2cccnc2)nc1)c1nc(C)c(C)s1
InChIInChI=1S/C18H19N5OS/c1-4-15(18-22-11(2)12(3)25-18)23-17(24)14-9-20-16(21-10-14)13-6-5-7-19-8-13/h5-10,15H,4H2,1-3H3,(H,23,24)
InChIKeyIOHCTRLFETZONS-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.49
Rot. Bonds5

About N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 56751861) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID56751861
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCCC(NC(=O)c1cnc(-c2cccnc2)nc1)c1nc(C)c(C)s1
InChIInChI=1S/C18H19N5OS/c1-4-15(18-22-11(2)12(3)25-18)23-17(24)14-9-20-16(21-10-14)13-6-5-7-19-8-13/h5-10,15H,4H2,1-3H3,(H,23,24)
InChIKeyIOHCTRLFETZONS-UHFFFAOYSA-N
XLogP3.49
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Thiazovivin
CID 46209426
2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 25113172
4-Pyrimidinecarboxamide,2-amino-6-(4-methyl-2-thiazolyl)-n-(2-pyridinylmethyl)-
CID 11313388
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-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15979870
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
5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 58548384
N-{3-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-benzyl}-acetamide
CID 10361685
Pyrimidine-4-carboxamide, 37
CID 11404621
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(2S)-2-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137637746

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 56751861) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide is CCC(NC(=O)c1cnc(-c2cccnc2)nc1)c1nc(C)c(C)s1.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is IOHCTRLFETZONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-4-15(18-22-11(2)12(3)25-18)23-17(24)14-9-20-16(21-10-14)13-6-5-7-19-8-13/h5-10,15H,4H2,1-3H3,(H,23,24).
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 56751861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).