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

C15H26N4OS — CID 119888192

IUPAC(2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C15H26N4OS/c1-15(2,3)12(16)13(20)17-7-6-11-10-21-14(18-11)19-8-4-5-9-19/h10,12H,4-9,16H2,1-3H3,(H,17,20)/t12-/m1/s1
InChIKeySTXMROWAHYDVMA-GFCCVEGCSA-N
MW310.47 g/mol
LogP1.78
Rot. Bonds5

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

(2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide (PubChem CID 119888192) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide
PubChem CID119888192
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C15H26N4OS/c1-15(2,3)12(16)13(20)17-7-6-11-10-21-14(18-11)19-8-4-5-9-19/h10,12H,4-9,16H2,1-3H3,(H,17,20)/t12-/m1/s1
InChIKeySTXMROWAHYDVMA-GFCCVEGCSA-N
XLogP1.78
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398156
4-amino-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 120565652
2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride
CID 119888171
methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
CID 110398213
N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110398101
3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398045
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea
CID 111507108
4-bromo-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398036
N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
CID 110398155
1,3,5-trimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 136526678
3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119888187
3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398093

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide (CID 119888192) is (2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide is CC(C)(C)[C@H](N)C(=O)NCCc1csc(N2CCCC2)n1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide?
The InChIKey is STXMROWAHYDVMA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-15(2,3)12(16)13(20)17-7-6-11-10-21-14(18-11)19-8-4-5-9-19/h10,12H,4-9,16H2,1-3H3,(H,17,20)/t12-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide has a molecular weight of 310.47 g/mol, XLogP of 1.78, 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-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 119888192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).