2-amino-N-(2-cyanoethyl)-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide

C11H14N4OS — CID 55115862

IUPAC2-amino-N-(2-cyanoethyl)-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C11H14N4OS/c1-7-9(17-11(13)14-7)10(16)15(6-2-5-12)8-3-4-8/h8H,2-4,6H2,1H3,(H2,13,14)
InChIKeyXGXSHPGNYUAZHH-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.55
Rot. Bonds4

About 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-(2-cyanoethyl)-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 55115862) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID55115862
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-amino-N-(2-cyanoethyl)-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C11H14N4OS/c1-7-9(17-11(13)14-7)10(16)15(6-2-5-12)8-3-4-8/h8H,2-4,6H2,1H3,(H2,13,14)
InChIKeyXGXSHPGNYUAZHH-UHFFFAOYSA-N
XLogP1.55
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide (CID 55115862) is 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)N(CCC#N)C1CC1.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is XGXSHPGNYUAZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-7-9(17-11(13)14-7)10(16)15(6-2-5-12)8-3-4-8/h8H,2-4,6H2,1H3,(H2,13,14).
What are the key properties of 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(2-cyanoethyl)-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55115862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).