2-tert-butyl-N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-1,3-thiazole-5-carboxamide

C18H20FN3O2S — CID 47073746

IUPAC2-tert-butyl-N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)Nc2ccc(F)c(NC(=O)C3CC3)c2)s1
InChIInChI=1S/C18H20FN3O2S/c1-18(2,3)17-20-9-14(25-17)16(24)21-11-6-7-12(19)13(8-11)22-15(23)10-4-5-10/h6-10H,4-5H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyUCHNPZGADWZQBA-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.18
Rot. Bonds4

About 2-tert-butyl-N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-1,3-thiazole-5-carboxamide (PubChem CID 47073746) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-tert-butyl-N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-1,3-thiazole-5-carboxamide
PubChem CID47073746
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name2-tert-butyl-N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)Nc2ccc(F)c(NC(=O)C3CC3)c2)s1
InChIInChI=1S/C18H20FN3O2S/c1-18(2,3)17-20-9-14(25-17)16(24)21-11-6-7-12(19)13(8-11)22-15(23)10-4-5-10/h6-10H,4-5H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyUCHNPZGADWZQBA-UHFFFAOYSA-N
XLogP4.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide
CID 35337961
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
2-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 161020207
N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 42948485
N-(5-acetamido-2-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119279496
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide
CID 55722774
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
N-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide
CID 38892389
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide
CID 55722520
N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43055026
N-(3-acetamido-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119278283

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-1,3-thiazole-5-carboxamide (CID 47073746) is 2-tert-butyl-N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)Nc2ccc(F)c(NC(=O)C3CC3)c2)s1.
What is the InChIKey of 2-tert-butyl-N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UCHNPZGADWZQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c1-18(2,3)17-20-9-14(25-17)16(24)21-11-6-7-12(19)13(8-11)22-15(23)10-4-5-10/h6-10H,4-5H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-tert-butyl-N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47073746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).