4-amino-N-(2-fluorophenyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C14H17FN4OS — CID 116665096

IUPAC4-amino-N-(2-fluorophenyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)N(C)c2ccccc2F)s1
InChIInChI=1S/C14H17FN4OS/c1-8(2)17-14-18-12(16)11(21-14)13(20)19(3)10-7-5-4-6-9(10)15/h4-8H,16H2,1-3H3,(H,17,18)
InChIKeyHXJUYRJWIAEQKQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.96
Rot. Bonds4

About 4-amino-N-(2-fluorophenyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(2-fluorophenyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116665096) has the molecular formula C14H17FN4OS and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-amino-N-(2-fluorophenyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-fluorophenyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116665096
Molecular FormulaC14H17FN4OS
Molecular Weight308.38 g/mol
Exact Mass308.11
IUPAC Name4-amino-N-(2-fluorophenyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)N(C)c2ccccc2F)s1
InChIInChI=1S/C14H17FN4OS/c1-8(2)17-14-18-12(16)11(21-14)13(20)19(3)10-7-5-4-6-9(10)15/h4-8H,16H2,1-3H3,(H,17,18)
InChIKeyHXJUYRJWIAEQKQ-UHFFFAOYSA-N
XLogP2.96
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-fluorophenyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-fluorophenyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116665096) is 4-amino-N-(2-fluorophenyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-fluorophenyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-fluorophenyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)Nc1nc(N)c(C(=O)N(C)c2ccccc2F)s1.
What is the InChIKey of 4-amino-N-(2-fluorophenyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is HXJUYRJWIAEQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4OS/c1-8(2)17-14-18-12(16)11(21-14)13(20)19(3)10-7-5-4-6-9(10)15/h4-8H,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-(2-fluorophenyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2-fluorophenyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-fluorophenyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).