4-amino-5-N-[(3,5-difluorophenyl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide

C15H16F2N4O2S — CID 53134294

IUPAC4-amino-5-N-[(3,5-difluorophenyl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide
SMILESCC(C)NC(=O)c1nsc(C(=O)NCc2cc(F)cc(F)c2)c1N
InChIInChI=1S/C15H16F2N4O2S/c1-7(2)20-14(22)12-11(18)13(24-21-12)15(23)19-6-8-3-9(16)5-10(17)4-8/h3-5,7H,6,18H2,1-2H3,(H,19,23)(H,20,22)
InChIKeySWSDYWSXOYKBKF-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.07
Rot. Bonds5

About 4-amino-5-N-[(3,5-difluorophenyl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-[(3,5-difluorophenyl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide (PubChem CID 53134294) has the molecular formula C15H16F2N4O2S and a molecular weight of 354.38 g/mol. Its IUPAC name is 4-amino-5-N-[(3,5-difluorophenyl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-[(3,5-difluorophenyl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide
PubChem CID53134294
Molecular FormulaC15H16F2N4O2S
Molecular Weight354.38 g/mol
Exact Mass354.10
IUPAC Name4-amino-5-N-[(3,5-difluorophenyl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide
SMILESCC(C)NC(=O)c1nsc(C(=O)NCc2cc(F)cc(F)c2)c1N
InChIInChI=1S/C15H16F2N4O2S/c1-7(2)20-14(22)12-11(18)13(24-21-12)15(23)19-6-8-3-9(16)5-10(17)4-8/h3-5,7H,6,18H2,1-2H3,(H,19,23)(H,20,22)
InChIKeySWSDYWSXOYKBKF-UHFFFAOYSA-N
XLogP2.07
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-N-[(5-methylfuran-2-yl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide
CID 52905863
methyl 4-amino-3-[(4-fluorophenyl)methylcarbamoyl]-1,2-thiazole-5-carboxylate
CID 50743406
4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide
CID 53134287
4-amino-5-N-benzyl-3-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53134282
4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 46395404
4-amino-5-N-[(3,4-dimethylphenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 46395418
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53331405
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(1S)-1-phenylethyl]-1,2-thiazole-3,5-dicarboxamide
CID 95182977
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide
CID 53331402
4-amino-3-N-cyclopentyl-5-N-(4-fluorophenyl)-5-N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 3190431
N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide
CID 58862460
4-amino-3-N-(cyclopropylmethyl)-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53335804

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[(3,5-difluorophenyl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-[(3,5-difluorophenyl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide (CID 53134294) is 4-amino-5-N-[(3,5-difluorophenyl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-[(3,5-difluorophenyl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-[(3,5-difluorophenyl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide is CC(C)NC(=O)c1nsc(C(=O)NCc2cc(F)cc(F)c2)c1N.
What is the InChIKey of 4-amino-5-N-[(3,5-difluorophenyl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is SWSDYWSXOYKBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2S/c1-7(2)20-14(22)12-11(18)13(24-21-12)15(23)19-6-8-3-9(16)5-10(17)4-8/h3-5,7H,6,18H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 4-amino-5-N-[(3,5-difluorophenyl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-[(3,5-difluorophenyl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 354.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-[(3,5-difluorophenyl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 53134294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).