5-[2-[(2R)-3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride

C15H22ClN3O2S3 — CID 76961019

IUPAC5-[2-[(2R)-3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride
SMILESCC(C)(C)NC[C@@H](O)CSc1nc(-c2ccc(C(N)=O)s2)cs1.Cl
InChIInChI=1S/C15H21N3O2S3.ClH/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20;/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20);1H/t9-;/m1./s1
InChIKeyXXDAXBZYUXLDRD-SBSPUUFOSA-N
MW408.01 g/mol
LogP3.23
Rot. Bonds7

About 5-[2-[(2R)-3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride

5-[2-[(2R)-3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride (PubChem CID 76961019) has the molecular formula C15H22ClN3O2S3 and a molecular weight of 408.01 g/mol. Its IUPAC name is 5-[2-[(2R)-3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[2-[(2R)-3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride
PubChem CID76961019
Molecular FormulaC15H22ClN3O2S3
Molecular Weight408.01 g/mol
Exact Mass407.06
IUPAC Name5-[2-[(2R)-3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride
SMILESCC(C)(C)NC[C@@H](O)CSc1nc(-c2ccc(C(N)=O)s2)cs1.Cl
InChIInChI=1S/C15H21N3O2S3.ClH/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20;/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20);1H/t9-;/m1./s1
InChIKeyXXDAXBZYUXLDRD-SBSPUUFOSA-N
XLogP3.23
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.01
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[2-[(2R)-3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-[2-[(2R)-3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride (CID 76961019) is 5-[2-[(2R)-3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[2-[(2R)-3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[2-[(2R)-3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride is CC(C)(C)NC[C@@H](O)CSc1nc(-c2ccc(C(N)=O)s2)cs1.Cl.
What is the InChIKey of 5-[2-[(2R)-3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is XXDAXBZYUXLDRD-SBSPUUFOSA-N. The full InChI is InChI=1S/C15H21N3O2S3.ClH/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20;/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20);1H/t9-;/m1./s1.
What are the key properties of 5-[2-[(2R)-3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride?
5-[2-[(2R)-3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 408.01 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 76961019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).