2-amino-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide;methylcarbamic acid

C16H19F2N3O4S — CID 157190050

IUPAC2-amino-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide;methylcarbamic acid
SMILESCC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(N)s2)c(F)c1.CNC(=O)O
InChIInChI=1S/C14H14F2N2O2S.C2H5NO2/c1-14(2,20)6-3-8(15)11(9(16)4-6)10-5-7(12(17)19)13(18)21-10;1-3-2(4)5/h3-5,20H,18H2,1-2H3,(H2,17,19);3H,1H3,(H,4,5)
InChIKeyAPPAPOJSAVPZMB-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.49
Rot. Bonds3

About 2-amino-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide;methylcarbamic acid

2-amino-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide;methylcarbamic acid (PubChem CID 157190050) has the molecular formula C16H19F2N3O4S and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-amino-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide;methylcarbamic acid.

Molecular Properties

Compound Name2-amino-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide;methylcarbamic acid
PubChem CID157190050
Molecular FormulaC16H19F2N3O4S
Molecular Weight387.41 g/mol
Exact Mass387.11
IUPAC Name2-amino-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide;methylcarbamic acid
SMILESCC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(N)s2)c(F)c1.CNC(=O)O
InChIInChI=1S/C14H14F2N2O2S.C2H5NO2/c1-14(2,20)6-3-8(15)11(9(16)4-6)10-5-7(12(17)19)13(18)21-10;1-3-2(4)5/h3-5,20H,18H2,1-2H3,(H2,17,19);3H,1H3,(H,4,5)
InChIKeyAPPAPOJSAVPZMB-UHFFFAOYSA-N
XLogP2.49
TPSA138.67 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]benzoic acid
CID 67083788
5-amino-2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 58335271
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59526073
methyl N-[[4-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]phenyl]methyl]carbamate
CID 58256460
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[4-(triazol-2-ylmethyl)anilino]thiophene-3-carboxamide
CID 44608312
[1-[[6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-2-pyridinyl]methyl]triazol-4-yl]methylcarbamic acid
CID 70869705
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(triazol-2-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59525928
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(8-oxo-7H-1,7-naphthyridin-2-yl)amino]thiophene-3-carboxamide
CID 44555293
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-imidazol-1-ylpyridazin-3-yl)amino]thiophene-3-carboxamide
CID 59526402
N-[[6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-2-pyridinyl]methyl]pyrimidine-2-carboxamide
CID 70869781
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-N-methyl-2-[(6-oxo-1H-pyridazin-3-yl)amino]thiophene-3-carboxamide
CID 70911892
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59526075

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide;methylcarbamic acid?
The IUPAC name of 2-amino-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide;methylcarbamic acid (CID 157190050) is 2-amino-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide;methylcarbamic acid.
What is the SMILES notation for 2-amino-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide;methylcarbamic acid?
The canonical SMILES for 2-amino-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide;methylcarbamic acid is CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(N)s2)c(F)c1.CNC(=O)O.
What is the InChIKey of 2-amino-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide;methylcarbamic acid?
The InChIKey is APPAPOJSAVPZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S.C2H5NO2/c1-14(2,20)6-3-8(15)11(9(16)4-6)10-5-7(12(17)19)13(18)21-10;1-3-2(4)5/h3-5,20H,18H2,1-2H3,(H2,17,19);3H,1H3,(H,4,5).
What are the key properties of 2-amino-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide;methylcarbamic acid?
2-amino-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide;methylcarbamic acid has a molecular weight of 387.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide;methylcarbamic acid is sourced from PubChem (CID 157190050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).