4-(3-propan-2-ylimidazol-4-yl)-2-propyl-1,3-thiazol-5-amine

C12H18N4S — CID 66132316

IUPAC4-(3-propan-2-ylimidazol-4-yl)-2-propyl-1,3-thiazol-5-amine
SMILESCCCc1nc(-c2cncn2C(C)C)c(N)s1
InChIInChI=1S/C12H18N4S/c1-4-5-10-15-11(12(13)17-10)9-6-14-7-16(9)8(2)3/h6-8H,4-5,13H2,1-3H3
InChIKeyWZDSIPAXNPTCTO-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.12
Rot. Bonds4

About 4-(3-propan-2-ylimidazol-4-yl)-2-propyl-1,3-thiazol-5-amine

4-(3-propan-2-ylimidazol-4-yl)-2-propyl-1,3-thiazol-5-amine (PubChem CID 66132316) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 4-(3-propan-2-ylimidazol-4-yl)-2-propyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(3-propan-2-ylimidazol-4-yl)-2-propyl-1,3-thiazol-5-amine
PubChem CID66132316
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name4-(3-propan-2-ylimidazol-4-yl)-2-propyl-1,3-thiazol-5-amine
SMILESCCCc1nc(-c2cncn2C(C)C)c(N)s1
InChIInChI=1S/C12H18N4S/c1-4-5-10-15-11(12(13)17-10)9-6-14-7-16(9)8(2)3/h6-8H,4-5,13H2,1-3H3
InChIKeyWZDSIPAXNPTCTO-UHFFFAOYSA-N
XLogP3.12
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-ylimidazol-4-yl)-2-propyl-1,3-thiazol-5-amine?
The IUPAC name of 4-(3-propan-2-ylimidazol-4-yl)-2-propyl-1,3-thiazol-5-amine (CID 66132316) is 4-(3-propan-2-ylimidazol-4-yl)-2-propyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(3-propan-2-ylimidazol-4-yl)-2-propyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(3-propan-2-ylimidazol-4-yl)-2-propyl-1,3-thiazol-5-amine is CCCc1nc(-c2cncn2C(C)C)c(N)s1.
What is the InChIKey of 4-(3-propan-2-ylimidazol-4-yl)-2-propyl-1,3-thiazol-5-amine?
The InChIKey is WZDSIPAXNPTCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-5-10-15-11(12(13)17-10)9-6-14-7-16(9)8(2)3/h6-8H,4-5,13H2,1-3H3.
What are the key properties of 4-(3-propan-2-ylimidazol-4-yl)-2-propyl-1,3-thiazol-5-amine?
4-(3-propan-2-ylimidazol-4-yl)-2-propyl-1,3-thiazol-5-amine has a molecular weight of 250.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-ylimidazol-4-yl)-2-propyl-1,3-thiazol-5-amine is sourced from PubChem (CID 66132316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).