2-(ethylamino)-4-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide

C14H21N5OS — CID 131933167

IUPAC2-(ethylamino)-4-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)NCCCc2cnn(C)c2)s1
InChIInChI=1S/C14H21N5OS/c1-4-15-14-18-10(2)12(21-14)13(20)16-7-5-6-11-8-17-19(3)9-11/h8-9H,4-7H2,1-3H3,(H,15,18)(H,16,20)
InChIKeyJWNCXLKKHYEMIN-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.98
Rot. Bonds7

About 2-(ethylamino)-4-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide

2-(ethylamino)-4-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 131933167) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-(ethylamino)-4-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-4-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide
PubChem CID131933167
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name2-(ethylamino)-4-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)NCCCc2cnn(C)c2)s1
InChIInChI=1S/C14H21N5OS/c1-4-15-14-18-10(2)12(21-14)13(20)16-7-5-6-11-8-17-19(3)9-11/h8-9H,4-7H2,1-3H3,(H,15,18)(H,16,20)
InChIKeyJWNCXLKKHYEMIN-UHFFFAOYSA-N
XLogP1.98
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 80686232
2-(ethylamino)-4-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 71852564
2-(ethylamino)-4-methyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 56896815
2,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 110474312
6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid
CID 119184013
4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 80690560
5-acetyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 106697908
3-bromo-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 52869461
4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 119500921
N-[3-(1-methylpyrazol-4-yl)propyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 71880223
2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 122131776
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 47445429

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-4-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide (CID 131933167) is 2-(ethylamino)-4-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-4-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-4-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide is CCNc1nc(C)c(C(=O)NCCCc2cnn(C)c2)s1.
What is the InChIKey of 2-(ethylamino)-4-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is JWNCXLKKHYEMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-4-15-14-18-10(2)12(21-14)13(20)16-7-5-6-11-8-17-19(3)9-11/h8-9H,4-7H2,1-3H3,(H,15,18)(H,16,20).
What are the key properties of 2-(ethylamino)-4-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide?
2-(ethylamino)-4-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 131933167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).