(2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide

C9H15N3OS — CID 120873882

IUPAC(2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide
SMILESCCCc1csc(NC(=O)[C@@H](C)N)n1
InChIInChI=1S/C9H15N3OS/c1-3-4-7-5-14-9(11-7)12-8(13)6(2)10/h5-6H,3-4,10H2,1-2H3,(H,11,12,13)/t6-/m1/s1
InChIKeyDAXMYJVDQSTNDU-ZCFIWIBFSA-N
MW213.31 g/mol
LogP1.38
Rot. Bonds4

About (2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide

(2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide (PubChem CID 120873882) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide
PubChem CID120873882
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name(2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide
SMILESCCCc1csc(NC(=O)[C@@H](C)N)n1
InChIInChI=1S/C9H15N3OS/c1-3-4-7-5-14-9(11-7)12-8(13)6(2)10/h5-6H,3-4,10H2,1-2H3,(H,11,12,13)/t6-/m1/s1
InChIKeyDAXMYJVDQSTNDU-ZCFIWIBFSA-N
XLogP1.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725
(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830474
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
1-(1-hydroxypropan-2-yl)-1-methyl-3-(4-propyl-1,3-thiazol-2-yl)urea
CID 110011158
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119830551
(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 78973521
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide
CID 24630482
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
(2S)-2-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119271226
2-[2-(2-methylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16791992
(2S)-2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119831183

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide (CID 120873882) is (2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide is CCCc1csc(NC(=O)[C@@H](C)N)n1.
What is the InChIKey of (2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is DAXMYJVDQSTNDU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-4-7-5-14-9(11-7)12-8(13)6(2)10/h5-6H,3-4,10H2,1-2H3,(H,11,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide?
(2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 213.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 120873882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).