4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide

C14H17FN4OS — CID 116668450

IUPAC4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)Nc2cccc(F)c2)s1
InChIInChI=1S/C14H17FN4OS/c1-3-7-19(2)14-18-12(16)11(21-14)13(20)17-10-6-4-5-9(15)8-10/h4-6,8H,3,7,16H2,1-2H3,(H,17,20)
InChIKeyCBNYMKVFDDECDF-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.96
Rot. Bonds5

About 4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide

4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 116668450) has the molecular formula C14H17FN4OS and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID116668450
Molecular FormulaC14H17FN4OS
Molecular Weight308.38 g/mol
Exact Mass308.11
IUPAC Name4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)Nc2cccc(F)c2)s1
InChIInChI=1S/C14H17FN4OS/c1-3-7-19(2)14-18-12(16)11(21-14)13(20)17-10-6-4-5-9(15)8-10/h4-6,8H,3,7,16H2,1-2H3,(H,17,20)
InChIKeyCBNYMKVFDDECDF-UHFFFAOYSA-N
XLogP2.96
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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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Related Compounds

4-amino-2-[methyl(propyl)amino]-N-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 116671678
4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116668442
4-amino-2-[methyl(propyl)amino]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116669026
4-amino-2-[ethyl(methyl)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668817
4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide
CID 116669238
4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116665584
4-amino-N-(3-methylbut-2-enyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 106199031
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671207
4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide
CID 116671148
4-amino-2-[ethyl(methyl)amino]-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668996
4-amino-N-(2-cyclopropylpropyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116672850
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 114759737

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide (CID 116668450) is 4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide is CCCN(C)c1nc(N)c(C(=O)Nc2cccc(F)c2)s1.
What is the InChIKey of 4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is CBNYMKVFDDECDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4OS/c1-3-7-19(2)14-18-12(16)11(21-14)13(20)17-10-6-4-5-9(15)8-10/h4-6,8H,3,7,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).