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

C15H21N3O2S3 — CID 2239

💊View drug profile → arotinolol
IUPAC5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide
SMILESCC(C)(C)NCC(O)CSc1nc(-c2ccc(C(N)=O)s2)cs1
InChIInChI=1S/C15H21N3O2S3/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)
InChIKeyBHIAIPWSVYSKJS-UHFFFAOYSA-N
MW371.55 g/mol
LogP2.81
Rot. Bonds7

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

5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide (PubChem CID 2239) has the molecular formula C15H21N3O2S3 and a molecular weight of 371.55 g/mol. Its IUPAC name is 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide
PubChem CID2239
Molecular FormulaC15H21N3O2S3
Molecular Weight371.55 g/mol
Exact Mass371.08
IUPAC Name5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide
SMILESCC(C)(C)NCC(O)CSc1nc(-c2ccc(C(N)=O)s2)cs1
InChIInChI=1S/C15H21N3O2S3/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)
InChIKeyBHIAIPWSVYSKJS-UHFFFAOYSA-N
XLogP2.81
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

Arotinolol Hydrochloride
CID 155032
Arotinolol, (S)-
CID 12797284
Arotinolol hydrochloride, (S)-
CID 66661657
Arotinolol, (R)-
CID 12797283
Arotinolol hydrochloride, (R)-
CID 76961019
N-(2-hydroxyethyl)-2-sulfanyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide
CID 11099066
Arotinolol Impurity 30
CID 10047091
Tert-butyl 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxylate
CID 21564653
Tert-butyl 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxylate;hydrochloride
CID 21564654
Ethyl 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxylate;hydrochloride
CID 21564655
5-[2-(3-Amino-2-hydroxy-4,4-dimethylpentyl)sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide
CID 67718985
5-(2-Methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide
CID 68802947

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide (CID 2239) is 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide is CC(C)(C)NCC(O)CSc1nc(-c2ccc(C(N)=O)s2)cs1.
What is the InChIKey of 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide?
The InChIKey is BHIAIPWSVYSKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S3/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).
What are the key properties of 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide?
5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide has a molecular weight of 371.55 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).