N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

C18H16FN5O2S2 — CID 155310775

IUPACN-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCn1cc(F)c(-c2ccc(NC(=O)c3cc4sc(NCCO)nc4s3)cc2)n1
InChIInChI=1S/C18H16FN5O2S2/c1-24-9-12(19)15(23-24)10-2-4-11(5-3-10)21-16(26)13-8-14-17(27-13)22-18(28-14)20-6-7-25/h2-5,8-9,25H,6-7H2,1H3,(H,20,22)(H,21,26)
InChIKeyGSSKLKNKHUHTAF-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.55
Rot. Bonds6

About N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 155310775) has the molecular formula C18H16FN5O2S2 and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID155310775
Molecular FormulaC18H16FN5O2S2
Molecular Weight417.49 g/mol
Exact Mass417.07
IUPAC NameN-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCn1cc(F)c(-c2ccc(NC(=O)c3cc4sc(NCCO)nc4s3)cc2)n1
InChIInChI=1S/C18H16FN5O2S2/c1-24-9-12(19)15(23-24)10-2-4-11(5-3-10)21-16(26)13-8-14-17(27-13)22-18(28-14)20-6-7-25/h2-5,8-9,25H,6-7H2,1H3,(H,20,22)(H,21,26)
InChIKeyGSSKLKNKHUHTAF-UHFFFAOYSA-N
XLogP3.55
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 2102506
3-methyl-1-(2-methylpropyl)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 8849767
1-[(4-fluorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2518728
N-[4-(5-fluoro-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618335
2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
CID 56848348
3-(2-fluorophenyl)-1-methyl-N-[1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 90720981
N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,3-difluorobenzamide
CID 118009422
2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide
CID 118009575
2-fluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide
CID 118009587
N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,6-difluorobenzamide
CID 118009666
N-[4-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]-2-fluorobenzamide
CID 118010144
N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2-fluorobenzamide
CID 118010165

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 155310775) is N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is Cn1cc(F)c(-c2ccc(NC(=O)c3cc4sc(NCCO)nc4s3)cc2)n1.
What is the InChIKey of N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is GSSKLKNKHUHTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S2/c1-24-9-12(19)15(23-24)10-2-4-11(5-3-10)21-16(26)13-8-14-17(27-13)22-18(28-14)20-6-7-25/h2-5,8-9,25H,6-7H2,1H3,(H,20,22)(H,21,26).
What are the key properties of N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 155310775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).