2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C17H23N5OS — CID 89233057

IUPAC2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NCCNCC2CC2)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C17H23N5OS/c1-12-15(16(23)21-11-14-3-2-6-18-10-14)24-17(22-12)20-8-7-19-9-13-4-5-13/h2-3,6,10,13,19H,4-5,7-9,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyCIGXFZFLUSOERX-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.19
Rot. Bonds9

About 2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 89233057) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID89233057
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NCCNCC2CC2)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C17H23N5OS/c1-12-15(16(23)21-11-14-3-2-6-18-10-14)24-17(22-12)20-8-7-19-9-13-4-5-13/h2-3,6,10,13,19H,4-5,7-9,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyCIGXFZFLUSOERX-UHFFFAOYSA-N
XLogP2.19
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53200013
2-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24512542
4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 53365432
4-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110386337
4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116669160
2-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24801840
2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51048692
2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 42534185
2-[[2,2-dimethoxyethyl-[2-(4-fluorophenyl)ethyl]carbamoyl]amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 86645287
2-(2-methoxyethylamino)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51048761
2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 123928883
2-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110694330

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 89233057) is 2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(NCCNCC2CC2)sc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CIGXFZFLUSOERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12-15(16(23)21-11-14-3-2-6-18-10-14)24-17(22-12)20-8-7-19-9-13-4-5-13/h2-3,6,10,13,19H,4-5,7-9,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.19, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 89233057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).