[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate

C14H10F3N5O2S2 — CID 87441440

IUPAC[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
SMILESCc1nc(OC(=O)Nc2nc(C(F)(F)F)cs2)c(Nc2cccnc2)s1
InChIInChI=1S/C14H10F3N5O2S2/c1-7-19-10(11(26-7)20-8-3-2-4-18-5-8)24-13(23)22-12-21-9(6-25-12)14(15,16)17/h2-6,20H,1H3,(H,21,22,23)
InChIKeyVUVANHKGCHACPB-UHFFFAOYSA-N
MW401.40 g/mol
LogP4.68
Rot. Bonds4

About [2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate

[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 87441440) has the molecular formula C14H10F3N5O2S2 and a molecular weight of 401.40 g/mol. Its IUPAC name is [2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Name[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID87441440
Molecular FormulaC14H10F3N5O2S2
Molecular Weight401.40 g/mol
Exact Mass401.02
IUPAC Name[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
SMILESCc1nc(OC(=O)Nc2nc(C(F)(F)F)cs2)c(Nc2cccnc2)s1
InChIInChI=1S/C14H10F3N5O2S2/c1-7-19-10(11(26-7)20-8-3-2-4-18-5-8)24-13(23)22-12-21-9(6-25-12)14(15,16)17/h2-6,20H,1H3,(H,21,22,23)
InChIKeyVUVANHKGCHACPB-UHFFFAOYSA-N
XLogP4.68
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2',4'-dimethyl-N-(pyridin-3-yl)-4,5'-bi-1,3-thiazol-2-amine
CID 973047
N-{2-[(2-fluoropyridin-3-yl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}acetamide
CID 11163901
N-[4'-Methyl-2-(pyridin-3-ylamino)-[4,5]bithiazolyl-2'-yl]-acetamide
CID 11186583
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 16393973
N-[5-[2-[(6-fluoro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11416792
[5-(3,5-difluoroanilino)-1,3-thiazol-4-yl] N-(6-methyl-2-pyridinyl)carbamate
CID 68405803
[2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazol-4-yl] N-(5-fluoro-2-pyridinyl)carbamate
CID 68405925
[5-(2,5-difluoroanilino)-1,3-thiazol-4-yl] N-(2-methylpyrimidin-4-yl)carbamate
CID 68406052
[5-(3-fluoroanilino)-1,3-thiazol-4-yl] N-(6-methyl-2-pyridinyl)carbamate
CID 68406120
[5-(3,5-difluoroanilino)-2-methyl-1,3-thiazol-4-yl] N-(5-fluoro-6-methyl-2-pyridinyl)carbamate
CID 68406411
[5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[6-(trifluoromethyl)-2-pyridinyl]carbamate
CID 68406739
[5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(2-methyl-4-pyridinyl)carbamate
CID 68406933

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of [2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate (CID 87441440) is [2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for [2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for [2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate is Cc1nc(OC(=O)Nc2nc(C(F)(F)F)cs2)c(Nc2cccnc2)s1.
What is the InChIKey of [2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is VUVANHKGCHACPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2S2/c1-7-19-10(11(26-7)20-8-3-2-4-18-5-8)24-13(23)22-12-21-9(6-25-12)14(15,16)17/h2-6,20H,1H3,(H,21,22,23).
What are the key properties of [2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 401.40 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 87441440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).