2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide

C12H15N5OS — CID 66376268

IUPAC2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)c1ccncc1NC(=O)c1csc(CN)n1
InChIInChI=1S/C12H15N5OS/c1-17(2)10-3-4-14-6-8(10)16-12(18)9-7-19-11(5-13)15-9/h3-4,6-7H,5,13H2,1-2H3,(H,16,18)
InChIKeyLRQUEWSRWZWORU-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.32
Rot. Bonds4

About 2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 66376268) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID66376268
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)c1ccncc1NC(=O)c1csc(CN)n1
InChIInChI=1S/C12H15N5OS/c1-17(2)10-3-4-14-6-8(10)16-12(18)9-7-19-11(5-13)15-9/h3-4,6-7H,5,13H2,1-2H3,(H,16,18)
InChIKeyLRQUEWSRWZWORU-UHFFFAOYSA-N
XLogP1.32
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 66377445
2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569
N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 63049052
N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 78941969
6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 55052253
2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66377243
N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 66376845
2-(aminomethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 66377402
2-(aminomethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66377436
2-(aminomethyl)-N-(2-methylquinolin-8-yl)-1,3-thiazole-4-carboxamide
CID 66379840
2-(aminomethyl)-N-(2-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66375890
4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 43697150

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 66376268) is 2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide is CN(C)c1ccncc1NC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LRQUEWSRWZWORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-17(2)10-3-4-14-6-8(10)16-12(18)9-7-19-11(5-13)15-9/h3-4,6-7H,5,13H2,1-2H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66376268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).