3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride

C13H25Cl2N3OS — CID 120504074

IUPAC3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride
SMILESCc1nc(C(C)(C)NC(=O)C(C)C(C)N)sc1C.Cl.Cl
InChIInChI=1S/C13H23N3OS.2ClH/c1-7(8(2)14)11(17)16-13(5,6)12-15-9(3)10(4)18-12;;/h7-8H,14H2,1-6H3,(H,16,17);2*1H
InChIKeyDQVJHYHPEMCQTI-UHFFFAOYSA-N
MW342.34 g/mol
LogP2.94
Rot. Bonds4

About 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride

3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride (PubChem CID 120504074) has the molecular formula C13H25Cl2N3OS and a molecular weight of 342.34 g/mol. Its IUPAC name is 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride
PubChem CID120504074
Molecular FormulaC13H25Cl2N3OS
Molecular Weight342.34 g/mol
Exact Mass341.11
IUPAC Name3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride
SMILESCc1nc(C(C)(C)NC(=O)C(C)C(C)N)sc1C.Cl.Cl
InChIInChI=1S/C13H23N3OS.2ClH/c1-7(8(2)14)11(17)16-13(5,6)12-15-9(3)10(4)18-12;;/h7-8H,14H2,1-6H3,(H,16,17);2*1H
InChIKeyDQVJHYHPEMCQTI-UHFFFAOYSA-N
XLogP2.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
CID 119890095
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride
CID 119953989
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119890064
4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]benzoic acid
CID 119185819
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]cyclopentane-1-carboxamide
CID 119890065
4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673743
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide
CID 119890059
2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid
CID 116865676
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide;dihydrochloride
CID 119890048
methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoate
CID 116865714
3-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylbutanamide
CID 120501910
3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide
CID 119870225

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride (CID 120504074) is 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride is Cc1nc(C(C)(C)NC(=O)C(C)C(C)N)sc1C.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride?
The InChIKey is DQVJHYHPEMCQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS.2ClH/c1-7(8(2)14)11(17)16-13(5,6)12-15-9(3)10(4)18-12;;/h7-8H,14H2,1-6H3,(H,16,17);2*1H.
What are the key properties of 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride?
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride has a molecular weight of 342.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120504074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).