N-[(1S,2R)-2-(cyclopentylamino)cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

C16H25N3OS — CID 56914604

IUPACN-[(1S,2R)-2-(cyclopentylamino)cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)N[C@H]1CC[C@H]1NC1CCCC1
InChIInChI=1S/C16H25N3OS/c1-11-15(21-10-17-11)8-9-16(20)19-14-7-6-13(14)18-12-4-2-3-5-12/h10,12-14,18H,2-9H2,1H3,(H,19,20)/t13-,14+/m1/s1
InChIKeyHASDHQZRJAWXDO-KGLIPLIRSA-N
MW307.46 g/mol
LogP2.56
Rot. Bonds6

About N-[(1S,2R)-2-(cyclopentylamino)cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

N-[(1S,2R)-2-(cyclopentylamino)cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 56914604) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[(1S,2R)-2-(cyclopentylamino)cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(cyclopentylamino)cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID56914604
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-[(1S,2R)-2-(cyclopentylamino)cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)N[C@H]1CC[C@H]1NC1CCCC1
InChIInChI=1S/C16H25N3OS/c1-11-15(21-10-17-11)8-9-16(20)19-14-7-6-13(14)18-12-4-2-3-5-12/h10,12-14,18H,2-9H2,1H3,(H,19,20)/t13-,14+/m1/s1
InChIKeyHASDHQZRJAWXDO-KGLIPLIRSA-N
XLogP2.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56902520
(3S)-N,N-dimethyl-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]azepan-3-amine
CID 70706603
3-[3-(4-Methyl-1,3-thiazol-5-yl)propanoyl]-3,9-diazaspiro[5.5]undecane
CID 56878971
3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(2-oxo-1-imidazolidinyl)ethyl]propanamide
CID 70707672
3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1-pyrrolidinyl)ethyl]propanamide
CID 70776471
(3S)-3-butyl-1-methyl-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one
CID 96577587
N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 121582567
N-({(2S,4S)-4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl}methyl)cyclobutanecarboxamide
CID 70754889
N-[[4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 78081911
N-(1'-methyl-1,4'-bipiperidin-3-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 45223802
N-(1-cycloheptyl-5-oxo-3-pyrrolidinyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 45224701
(1S*,6R*)-9-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 50961659

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(cyclopentylamino)cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-[(1S,2R)-2-(cyclopentylamino)cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 56914604) is N-[(1S,2R)-2-(cyclopentylamino)cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-[(1S,2R)-2-(cyclopentylamino)cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-[(1S,2R)-2-(cyclopentylamino)cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is Cc1ncsc1CCC(=O)N[C@H]1CC[C@H]1NC1CCCC1.
What is the InChIKey of N-[(1S,2R)-2-(cyclopentylamino)cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is HASDHQZRJAWXDO-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-11-15(21-10-17-11)8-9-16(20)19-14-7-6-13(14)18-12-4-2-3-5-12/h10,12-14,18H,2-9H2,1H3,(H,19,20)/t13-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(cyclopentylamino)cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-[(1S,2R)-2-(cyclopentylamino)cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 307.46 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(cyclopentylamino)cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 56914604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).