N-methyl-4-propan-2-yl-1,3-thiazol-2-amine

C7H12N2S — CID 12696972

IUPACN-methyl-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCNc1nc(C(C)C)cs1
InChIInChI=1S/C7H12N2S/c1-5(2)6-4-10-7(8-3)9-6/h4-5H,1-3H3,(H,8,9)
InChIKeyOIAVUDNAYDLXCP-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.31
Rot. Bonds2

About N-methyl-4-propan-2-yl-1,3-thiazol-2-amine

N-methyl-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 12696972) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is N-methyl-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID12696972
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC NameN-methyl-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCNc1nc(C(C)C)cs1
InChIInChI=1S/C7H12N2S/c1-5(2)6-4-10-7(8-3)9-6/h4-5H,1-3H3,(H,8,9)
InChIKeyOIAVUDNAYDLXCP-UHFFFAOYSA-N
XLogP2.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-propan-2-yl-1,3-thiazol-2-amine (CID 12696972) is N-methyl-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-propan-2-yl-1,3-thiazol-2-amine is CNc1nc(C(C)C)cs1.
What is the InChIKey of N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is OIAVUDNAYDLXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5(2)6-4-10-7(8-3)9-6/h4-5H,1-3H3,(H,8,9).
What are the key properties of N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
N-methyl-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 156.25 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 12696972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).