2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride

C10H19Cl2N3OS — CID 119861837

IUPAC2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride
SMILESCc1ncc(CNC(=O)C(N)C(C)C)s1.Cl.Cl
InChIInChI=1S/C10H17N3OS.2ClH/c1-6(2)9(11)10(14)13-5-8-4-12-7(3)15-8;;/h4,6,9H,5,11H2,1-3H3,(H,13,14);2*1H
InChIKeyBKUKCOIRHIUFHQ-UHFFFAOYSA-N
MW300.26 g/mol
LogP1.89
Rot. Bonds4

About 2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride

2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride (PubChem CID 119861837) has the molecular formula C10H19Cl2N3OS and a molecular weight of 300.26 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride
PubChem CID119861837
Molecular FormulaC10H19Cl2N3OS
Molecular Weight300.26 g/mol
Exact Mass299.06
IUPAC Name2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride
SMILESCc1ncc(CNC(=O)C(N)C(C)C)s1.Cl.Cl
InChIInChI=1S/C10H17N3OS.2ClH/c1-6(2)9(11)10(14)13-5-8-4-12-7(3)15-8;;/h4,6,9H,5,11H2,1-3H3,(H,13,14);2*1H
InChIKeyBKUKCOIRHIUFHQ-UHFFFAOYSA-N
XLogP1.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 76897490
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 79023293
ethyl 3,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]butanoate
CID 116537892
N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 115747429
propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 116654769
(2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797057
methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 60941784
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid
CID 82848419
(2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride
CID 119958028
(2R)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458721
(2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458720

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride (CID 119861837) is 2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride is Cc1ncc(CNC(=O)C(N)C(C)C)s1.Cl.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride?
The InChIKey is BKUKCOIRHIUFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS.2ClH/c1-6(2)9(11)10(14)13-5-8-4-12-7(3)15-8;;/h4,6,9H,5,11H2,1-3H3,(H,13,14);2*1H.
What are the key properties of 2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride?
2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride has a molecular weight of 300.26 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119861837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).