5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-N,N-bis(prop-2-enyl)-1,3-thiazol-2-amine

C20H21N5S — CID 58707057

IUPAC5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-N,N-bis(prop-2-enyl)-1,3-thiazol-2-amine
SMILESC=CCN(CC=C)c1ncc(-c2cccc(Nc3cc(C)ccn3)n2)s1
InChIInChI=1S/C20H21N5S/c1-4-11-25(12-5-2)20-22-14-17(26-20)16-7-6-8-18(23-16)24-19-13-15(3)9-10-21-19/h4-10,13-14H,1-2,11-12H2,3H3,(H,21,23,24)
InChIKeyMMATYMDMMHDMGL-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.83
Rot. Bonds8

About 5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-N,N-bis(prop-2-enyl)-1,3-thiazol-2-amine

5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-N,N-bis(prop-2-enyl)-1,3-thiazol-2-amine (PubChem CID 58707057) has the molecular formula C20H21N5S and a molecular weight of 363.49 g/mol. Its IUPAC name is 5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-N,N-bis(prop-2-enyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-N,N-bis(prop-2-enyl)-1,3-thiazol-2-amine
PubChem CID58707057
Molecular FormulaC20H21N5S
Molecular Weight363.49 g/mol
Exact Mass363.15
IUPAC Name5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-N,N-bis(prop-2-enyl)-1,3-thiazol-2-amine
SMILESC=CCN(CC=C)c1ncc(-c2cccc(Nc3cc(C)ccn3)n2)s1
InChIInChI=1S/C20H21N5S/c1-4-11-25(12-5-2)20-22-14-17(26-20)16-7-6-8-18(23-16)24-19-13-15(3)9-10-21-19/h4-10,13-14H,1-2,11-12H2,3H3,(H,21,23,24)
InChIKeyMMATYMDMMHDMGL-UHFFFAOYSA-N
XLogP4.83
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-N,N-bis(prop-2-enyl)-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]pentanoic acid
CID 58706934
[4-[2-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]ethyl]phenyl]methanediol
CID 163769540
2-[4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexyl]acetic acid
CID 58706686
N-benzyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-amine
CID 58707124
2-[[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 58706901
4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide
CID 58707212
N-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 58706589
2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanol
CID 58707155
1-[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]ethanone
CID 58706583
ethyl 3-methyl-3-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]butanoate
CID 58706765
1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
CID 58706740
1-[[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 58706701

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-N,N-bis(prop-2-enyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-N,N-bis(prop-2-enyl)-1,3-thiazol-2-amine (CID 58707057) is 5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-N,N-bis(prop-2-enyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-N,N-bis(prop-2-enyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-N,N-bis(prop-2-enyl)-1,3-thiazol-2-amine is C=CCN(CC=C)c1ncc(-c2cccc(Nc3cc(C)ccn3)n2)s1.
What is the InChIKey of 5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-N,N-bis(prop-2-enyl)-1,3-thiazol-2-amine?
The InChIKey is MMATYMDMMHDMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5S/c1-4-11-25(12-5-2)20-22-14-17(26-20)16-7-6-8-18(23-16)24-19-13-15(3)9-10-21-19/h4-10,13-14H,1-2,11-12H2,3H3,(H,21,23,24).
What are the key properties of 5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-N,N-bis(prop-2-enyl)-1,3-thiazol-2-amine?
5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-N,N-bis(prop-2-enyl)-1,3-thiazol-2-amine has a molecular weight of 363.49 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-N,N-bis(prop-2-enyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58707057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).