N-cyclopropyl-4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine

C11H13N3S2 — CID 63751719

IUPACN-cyclopropyl-4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1nc(-c2csc(NC3CC3)n2)c(C)s1
InChIInChI=1S/C11H13N3S2/c1-6-10(12-7(2)16-6)9-5-15-11(14-9)13-8-3-4-8/h5,8H,3-4H2,1-2H3,(H,13,14)
InChIKeyYRBDDDBZTZYPMN-UHFFFAOYSA-N
MW251.38 g/mol
LogP3.46
Rot. Bonds3

About N-cyclopropyl-4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine

N-cyclopropyl-4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 63751719) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-cyclopropyl-4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
PubChem CID63751719
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC NameN-cyclopropyl-4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1nc(-c2csc(NC3CC3)n2)c(C)s1
InChIInChI=1S/C11H13N3S2/c1-6-10(12-7(2)16-6)9-5-15-11(14-9)13-8-3-4-8/h5,8H,3-4H2,1-2H3,(H,13,14)
InChIKeyYRBDDDBZTZYPMN-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine (CID 63751719) is N-cyclopropyl-4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine is Cc1nc(-c2csc(NC3CC3)n2)c(C)s1.
What is the InChIKey of N-cyclopropyl-4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is YRBDDDBZTZYPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c1-6-10(12-7(2)16-6)9-5-15-11(14-9)13-8-3-4-8/h5,8H,3-4H2,1-2H3,(H,13,14).
What are the key properties of N-cyclopropyl-4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine?
N-cyclopropyl-4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 251.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63751719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).