(2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide

C16H23N3OS2 — CID 119696599

IUPAC(2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide
SMILESCc1nc(-c2ccc(CCNC(=O)[C@@H](N)C(C)(C)C)s2)cs1
InChIInChI=1S/C16H23N3OS2/c1-10-19-12(9-21-10)13-6-5-11(22-13)7-8-18-15(20)14(17)16(2,3)4/h5-6,9,14H,7-8,17H2,1-4H3,(H,18,20)/t14-/m1/s1
InChIKeyAOHZDSLKHUXPGH-CQSZACIVSA-N
MW337.51 g/mol
LogP3.21
Rot. Bonds5

About (2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide (PubChem CID 119696599) has the molecular formula C16H23N3OS2 and a molecular weight of 337.51 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide
PubChem CID119696599
Molecular FormulaC16H23N3OS2
Molecular Weight337.51 g/mol
Exact Mass337.13
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide
SMILESCc1nc(-c2ccc(CCNC(=O)[C@@H](N)C(C)(C)C)s2)cs1
InChIInChI=1S/C16H23N3OS2/c1-10-19-12(9-21-10)13-6-5-11(22-13)7-8-18-15(20)14(17)16(2,3)4/h5-6,9,14H,7-8,17H2,1-4H3,(H,18,20)/t14-/m1/s1
InChIKeyAOHZDSLKHUXPGH-CQSZACIVSA-N
XLogP3.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 120666877
2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride
CID 119696612
2-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119275088
(2S)-2-amino-3,3-dimethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide;dihydrochloride
CID 119837217
2-methyl-3-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide;hydrochloride
CID 119696604
3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 119275087
2-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 47014812
2-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 119696595
4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide
CID 42575172
3,5-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 27294304
1-tert-butyl-2-methyl-3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine
CID 110966972
2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 24533251

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide (CID 119696599) is (2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide is Cc1nc(-c2ccc(CCNC(=O)[C@@H](N)C(C)(C)C)s2)cs1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide?
The InChIKey is AOHZDSLKHUXPGH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3OS2/c1-10-19-12(9-21-10)13-6-5-11(22-13)7-8-18-15(20)14(17)16(2,3)4/h5-6,9,14H,7-8,17H2,1-4H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide has a molecular weight of 337.51 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide is sourced from PubChem (CID 119696599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).