N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpentan-3-amine

C12H22N2S — CID 115896787

IUPACN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpentan-3-amine
SMILESCCC(NCc1nc(C)sc1C)C(C)C
InChIInChI=1S/C12H22N2S/c1-6-11(8(2)3)13-7-12-9(4)15-10(5)14-12/h8,11,13H,6-7H2,1-5H3
InChIKeyUMUHRFZGRVQTLM-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.28
Rot. Bonds5

About N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpentan-3-amine

N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpentan-3-amine (PubChem CID 115896787) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpentan-3-amine
PubChem CID115896787
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpentan-3-amine
SMILESCCC(NCc1nc(C)sc1C)C(C)C
InChIInChI=1S/C12H22N2S/c1-6-11(8(2)3)13-7-12-9(4)15-10(5)14-12/h8,11,13H,6-7H2,1-5H3
InChIKeyUMUHRFZGRVQTLM-UHFFFAOYSA-N
XLogP3.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62402337
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CID 62402519
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CID 62403377
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CID 62404281
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CID 62404464
CID 62404464
CID 64539100
CID 64539100
CID 64539102
CID 64539102

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpentan-3-amine?
The IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpentan-3-amine (CID 115896787) is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpentan-3-amine is CCC(NCc1nc(C)sc1C)C(C)C.
What is the InChIKey of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpentan-3-amine?
The InChIKey is UMUHRFZGRVQTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-6-11(8(2)3)13-7-12-9(4)15-10(5)14-12/h8,11,13H,6-7H2,1-5H3.
What are the key properties of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpentan-3-amine?
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpentan-3-amine has a molecular weight of 226.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpentan-3-amine is sourced from PubChem (CID 115896787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).