3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride

C9H17Cl2N3OS — CID 119839268

IUPAC3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride
SMILESCc1csc(CNC(=O)CC(C)N)n1.Cl.Cl
InChIInChI=1S/C9H15N3OS.2ClH/c1-6(10)3-8(13)11-4-9-12-7(2)5-14-9;;/h5-6H,3-4,10H2,1-2H3,(H,11,13);2*1H
InChIKeyUXTYPGUKFHDATR-UHFFFAOYSA-N
MW286.23 g/mol
LogP1.65
Rot. Bonds4

About 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride

3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride (PubChem CID 119839268) has the molecular formula C9H17Cl2N3OS and a molecular weight of 286.23 g/mol. Its IUPAC name is 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride
PubChem CID119839268
Molecular FormulaC9H17Cl2N3OS
Molecular Weight286.23 g/mol
Exact Mass285.05
IUPAC Name3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride
SMILESCc1csc(CNC(=O)CC(C)N)n1.Cl.Cl
InChIInChI=1S/C9H15N3OS.2ClH/c1-6(10)3-8(13)11-4-9-12-7(2)5-14-9;;/h5-6H,3-4,10H2,1-2H3,(H,11,13);2*1H
InChIKeyUXTYPGUKFHDATR-UHFFFAOYSA-N
XLogP1.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 61044456
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082
2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 61043728
ethyl 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3-oxopropanoate
CID 110465416
7-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]heptanamide;dihydrochloride
CID 119839230
3-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110563
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
(2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 61157071
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride
CID 119900150
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 47048123
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51315954

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride (CID 119839268) is 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride is Cc1csc(CNC(=O)CC(C)N)n1.Cl.Cl.
What is the InChIKey of 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride?
The InChIKey is UXTYPGUKFHDATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS.2ClH/c1-6(10)3-8(13)11-4-9-12-7(2)5-14-9;;/h5-6H,3-4,10H2,1-2H3,(H,11,13);2*1H.
What are the key properties of 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride?
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride has a molecular weight of 286.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119839268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).