(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide

C10H17N3OS — CID 107569472

IUPAC(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
SMILESCCC[C@H](N)C(=O)N(C)Cc1cscn1
InChIInChI=1S/C10H17N3OS/c1-3-4-9(11)10(14)13(2)5-8-6-15-7-12-8/h6-7,9H,3-5,11H2,1-2H3/t9-/m0/s1
InChIKeyJRXOTIOKQUQTSW-VIFPVBQESA-N
MW227.33 g/mol
LogP1.23
Rot. Bonds5

About (2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide

(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide (PubChem CID 107569472) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
PubChem CID107569472
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
SMILESCCC[C@H](N)C(=O)N(C)Cc1cscn1
InChIInChI=1S/C10H17N3OS/c1-3-4-9(11)10(14)13(2)5-8-6-15-7-12-8/h6-7,9H,3-5,11H2,1-2H3/t9-/m0/s1
InChIKeyJRXOTIOKQUQTSW-VIFPVBQESA-N
XLogP1.23
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 32049043
N-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 47070623
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377169
3-[(2-Ethyl-1,3-thiazol-4-yl)methylamino]azepan-2-one
CID 47397760
1-[(2-Ethyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 53521232
N-cyclopentyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
CID 53529845
N-[1-oxo-1-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]methanesulfonamide
CID 53603921
2-(Methylsulfanyl)-1-{4-[(1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl}propan-1-one
CID 53603923
N~1~-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N~1~-methyl-D-leucinamide
CID 56870438
2-(dimethylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 71905849
N-[3-[[(2S)-1-[(2S)-2-[[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-oxoprop-1-en-2-yl]-1,3-thiazole-4-carboxamide
CID 90676928
N-cyclohexyl-1,3-thiazole-4-carboxamide
CID 62045802

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide (CID 107569472) is (2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide is CCC[C@H](N)C(=O)N(C)Cc1cscn1.
What is the InChIKey of (2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide?
The InChIKey is JRXOTIOKQUQTSW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-4-9(11)10(14)13(2)5-8-6-15-7-12-8/h6-7,9H,3-5,11H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide?
(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide has a molecular weight of 227.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide is sourced from PubChem (CID 107569472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).