(2S)-2-amino-N-butyl-N-(furan-2-ylmethyl)-3-(1,3-thiazol-4-yl)propanamide

C15H21N3O2S — CID 50972162

IUPAC(2S)-2-amino-N-butyl-N-(furan-2-ylmethyl)-3-(1,3-thiazol-4-yl)propanamide
SMILESCCCCN(Cc1ccco1)C(=O)[C@@H](N)Cc1cscn1
InChIInChI=1S/C15H21N3O2S/c1-2-3-6-18(9-13-5-4-7-20-13)15(19)14(16)8-12-10-21-11-17-12/h4-5,7,10-11,14H,2-3,6,8-9,16H2,1H3/t14-/m0/s1
InChIKeyLHXSMQJTTYBICO-AWEZNQCLSA-N
MW307.42 g/mol
LogP2.43
Rot. Bonds8

About (2S)-2-amino-N-butyl-N-(furan-2-ylmethyl)-3-(1,3-thiazol-4-yl)propanamide

(2S)-2-amino-N-butyl-N-(furan-2-ylmethyl)-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 50972162) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is (2S)-2-amino-N-butyl-N-(furan-2-ylmethyl)-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-butyl-N-(furan-2-ylmethyl)-3-(1,3-thiazol-4-yl)propanamide
PubChem CID50972162
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name(2S)-2-amino-N-butyl-N-(furan-2-ylmethyl)-3-(1,3-thiazol-4-yl)propanamide
SMILESCCCCN(Cc1ccco1)C(=O)[C@@H](N)Cc1cscn1
InChIInChI=1S/C15H21N3O2S/c1-2-3-6-18(9-13-5-4-7-20-13)15(19)14(16)8-12-10-21-11-17-12/h4-5,7,10-11,14H,2-3,6,8-9,16H2,1H3/t14-/m0/s1
InChIKeyLHXSMQJTTYBICO-AWEZNQCLSA-N
XLogP2.43
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide
CID 113357146
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CID 76894772
(2R)-2-amino-N-ethyl-N-(furan-2-ylmethyl)pentanamide
CID 107568950
2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869064
N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 46987628
N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 3620431
N-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 34907467
2-amino-N,N-bis(furan-2-ylmethyl)-3-methylpentanamide
CID 60938301
(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107569472
N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 50985062
2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 71757104
3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid
CID 82323491

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-butyl-N-(furan-2-ylmethyl)-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-butyl-N-(furan-2-ylmethyl)-3-(1,3-thiazol-4-yl)propanamide (CID 50972162) is (2S)-2-amino-N-butyl-N-(furan-2-ylmethyl)-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-butyl-N-(furan-2-ylmethyl)-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-butyl-N-(furan-2-ylmethyl)-3-(1,3-thiazol-4-yl)propanamide is CCCCN(Cc1ccco1)C(=O)[C@@H](N)Cc1cscn1.
What is the InChIKey of (2S)-2-amino-N-butyl-N-(furan-2-ylmethyl)-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is LHXSMQJTTYBICO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-3-6-18(9-13-5-4-7-20-13)15(19)14(16)8-12-10-21-11-17-12/h4-5,7,10-11,14H,2-3,6,8-9,16H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-butyl-N-(furan-2-ylmethyl)-3-(1,3-thiazol-4-yl)propanamide?
(2S)-2-amino-N-butyl-N-(furan-2-ylmethyl)-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 307.42 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-butyl-N-(furan-2-ylmethyl)-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 50972162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).