2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C10H13N5OS — CID 66390582

IUPAC2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(CCN)n2)cn1
InChIInChI=1S/C10H13N5OS/c1-15-5-7(4-12-15)13-10(16)8-6-17-9(14-8)2-3-11/h4-6H,2-3,11H2,1H3,(H,13,16)
InChIKeyJJDDTRLJHOANOH-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.63
Rot. Bonds4

About 2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 66390582) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID66390582
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(CCN)n2)cn1
InChIInChI=1S/C10H13N5OS/c1-15-5-7(4-12-15)13-10(16)8-6-17-9(14-8)2-3-11/h4-6H,2-3,11H2,1H3,(H,13,16)
InChIKeyJJDDTRLJHOANOH-UHFFFAOYSA-N
XLogP0.63
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66388692
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023866
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 66377447
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 144595356
2-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 66372657
2-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390430
2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide
CID 120626736
2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120617738
2-[(1-methylpyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696698
2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 66372668
2-(2-aminoethyl)-N-tert-butyl-1,3-thiazole-4-carboxamide
CID 66374176

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 66390582) is 2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(NC(=O)c2csc(CCN)n2)cn1.
What is the InChIKey of 2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is JJDDTRLJHOANOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-15-5-7(4-12-15)13-10(16)8-6-17-9(14-8)2-3-11/h4-6H,2-3,11H2,1H3,(H,13,16).
What are the key properties of 2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66390582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).