4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide

C19H17ClF3N5OS — CID 89361893

IUPAC4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCc1ccc2nc(NC(=O)N3CCC(c4nccnc4Cl)(C(F)(F)F)CC3)sc2c1
InChIInChI=1S/C19H17ClF3N5OS/c1-11-2-3-12-13(10-11)30-16(26-12)27-17(29)28-8-4-18(5-9-28,19(21,22)23)14-15(20)25-7-6-24-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,26,27,29)
InChIKeyZGZVRMNRAMBCOI-UHFFFAOYSA-N
MW455.89 g/mol
LogP5.18
Rot. Bonds2

About 4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide

4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 89361893) has the molecular formula C19H17ClF3N5OS and a molecular weight of 455.89 g/mol. Its IUPAC name is 4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID89361893
Molecular FormulaC19H17ClF3N5OS
Molecular Weight455.89 g/mol
Exact Mass455.08
IUPAC Name4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCc1ccc2nc(NC(=O)N3CCC(c4nccnc4Cl)(C(F)(F)F)CC3)sc2c1
InChIInChI=1S/C19H17ClF3N5OS/c1-11-2-3-12-13(10-11)30-16(26-12)27-17(29)28-8-4-18(5-9-28,19(21,22)23)14-15(20)25-7-6-24-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,26,27,29)
InChIKeyZGZVRMNRAMBCOI-UHFFFAOYSA-N
XLogP5.18
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.89
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide 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

N-[6-[6-Chloro-5-[[(4-fluorophenyl)sulfonyl]amino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 50990924
n-(6-(6-Chloro-5-(3-(trifluoromethyl)phenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51354879
n-(6-(6-Chloro-5-(4-(trifluoromethyl)phenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51354880
n-(6-(5-(3-Tert-butylphenylsulfonamido)-6-chloropyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51355171
N-(6-(6-Chloro-5-(4-tert-butylphenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51355172
N-[6-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 51354878
N-[6-[6-chloro-5-[(2-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 51355173
1-Ethyl-3-[6-[5-(trifluoromethyl)pyridin-3-yl]-1,3-benzothiazol-2-yl]urea
CID 44466962
n-(6-(6-Chloro-5-(3-fluorophenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51355174
N-[6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]-1,3-benzothiazol-2-yl]-4-piperidin-1-ylbutanamide
CID 59251984
1-Ethyl-3-(6-pyridin-4-yl-1,3-benzothiazol-2-yl)urea
CID 71655664
N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-chloro-3-pyridinyl]-4-fluorobenzamide
CID 122185874

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide (CID 89361893) is 4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide is Cc1ccc2nc(NC(=O)N3CCC(c4nccnc4Cl)(C(F)(F)F)CC3)sc2c1.
What is the InChIKey of 4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is ZGZVRMNRAMBCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N5OS/c1-11-2-3-12-13(10-11)30-16(26-12)27-17(29)28-8-4-18(5-9-28,19(21,22)23)14-15(20)25-7-6-24-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,26,27,29).
What are the key properties of 4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 455.89 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 89361893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).