1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-amine

C11H15N3S2 — CID 55228429

IUPAC1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCc1nc(C)c(-c2csc(CC(C)N)n2)s1
InChIInChI=1S/C11H15N3S2/c1-6(12)4-10-14-9(5-15-10)11-7(2)13-8(3)16-11/h5-6H,4,12H2,1-3H3
InChIKeyGHUGROKCWADKOU-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.77
Rot. Bonds3

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

1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-amine (PubChem CID 55228429) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-amine
PubChem CID55228429
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCc1nc(C)c(-c2csc(CC(C)N)n2)s1
InChIInChI=1S/C11H15N3S2/c1-6(12)4-10-14-9(5-15-10)11-7(2)13-8(3)16-11/h5-6H,4,12H2,1-3H3
InChIKeyGHUGROKCWADKOU-UHFFFAOYSA-N
XLogP2.77
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-amine?
The IUPAC name of 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-amine (CID 55228429) is 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-amine is Cc1nc(C)c(-c2csc(CC(C)N)n2)s1.
What is the InChIKey of 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-amine?
The InChIKey is GHUGROKCWADKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-6(12)4-10-14-9(5-15-10)11-7(2)13-8(3)16-11/h5-6H,4,12H2,1-3H3.
What are the key properties of 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-amine?
1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-amine has a molecular weight of 253.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-amine is sourced from PubChem (CID 55228429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).