2-methyl-4-propan-2-yl-1,3-thiazol-5-amine

C7H12N2S — CID 62082727

IUPAC2-methyl-4-propan-2-yl-1,3-thiazol-5-amine
SMILESCc1nc(C(C)C)c(N)s1
InChIInChI=1S/C7H12N2S/c1-4(2)6-7(8)10-5(3)9-6/h4H,8H2,1-3H3
InChIKeyMLMRCPCOXBMJQA-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.16
Rot. Bonds1

About 2-methyl-4-propan-2-yl-1,3-thiazol-5-amine

2-methyl-4-propan-2-yl-1,3-thiazol-5-amine (PubChem CID 62082727) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-1,3-thiazol-5-amine
PubChem CID62082727
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name2-methyl-4-propan-2-yl-1,3-thiazol-5-amine
SMILESCc1nc(C(C)C)c(N)s1
InChIInChI=1S/C7H12N2S/c1-4(2)6-7(8)10-5(3)9-6/h4H,8H2,1-3H3
InChIKeyMLMRCPCOXBMJQA-UHFFFAOYSA-N
XLogP2.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-1,3-thiazol-5-amine?
The IUPAC name of 2-methyl-4-propan-2-yl-1,3-thiazol-5-amine (CID 62082727) is 2-methyl-4-propan-2-yl-1,3-thiazol-5-amine.
What is the SMILES notation for 2-methyl-4-propan-2-yl-1,3-thiazol-5-amine?
The canonical SMILES for 2-methyl-4-propan-2-yl-1,3-thiazol-5-amine is Cc1nc(C(C)C)c(N)s1.
What is the InChIKey of 2-methyl-4-propan-2-yl-1,3-thiazol-5-amine?
The InChIKey is MLMRCPCOXBMJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-4(2)6-7(8)10-5(3)9-6/h4H,8H2,1-3H3.
What are the key properties of 2-methyl-4-propan-2-yl-1,3-thiazol-5-amine?
2-methyl-4-propan-2-yl-1,3-thiazol-5-amine has a molecular weight of 156.25 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-1,3-thiazol-5-amine is sourced from PubChem (CID 62082727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).