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

C14H22N2S2 — CID 79951460

IUPACN-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthian-3-amine
SMILESCc1nc(C2(NC3CC3)CCCSC2C)sc1C
InChIInChI=1S/C14H22N2S2/c1-9-10(2)18-13(15-9)14(16-12-5-6-12)7-4-8-17-11(14)3/h11-12,16H,4-8H2,1-3H3
InChIKeyIGBYJNMFVRLFRE-UHFFFAOYSA-N
MW282.48 g/mol
LogP3.62
Rot. Bonds3

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

N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthian-3-amine (PubChem CID 79951460) has the molecular formula C14H22N2S2 and a molecular weight of 282.48 g/mol. Its IUPAC name is N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthian-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthian-3-amine
PubChem CID79951460
Molecular FormulaC14H22N2S2
Molecular Weight282.48 g/mol
Exact Mass282.12
IUPAC NameN-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthian-3-amine
SMILESCc1nc(C2(NC3CC3)CCCSC2C)sc1C
InChIInChI=1S/C14H22N2S2/c1-9-10(2)18-13(15-9)14(16-12-5-6-12)7-4-8-17-11(14)3/h11-12,16H,4-8H2,1-3H3
InChIKeyIGBYJNMFVRLFRE-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthian-3-amine?
The IUPAC name of N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthian-3-amine (CID 79951460) is N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthian-3-amine.
What is the SMILES notation for N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthian-3-amine?
The canonical SMILES for N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthian-3-amine is Cc1nc(C2(NC3CC3)CCCSC2C)sc1C.
What is the InChIKey of N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthian-3-amine?
The InChIKey is IGBYJNMFVRLFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S2/c1-9-10(2)18-13(15-9)14(16-12-5-6-12)7-4-8-17-11(14)3/h11-12,16H,4-8H2,1-3H3.
What are the key properties of N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthian-3-amine?
N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthian-3-amine has a molecular weight of 282.48 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthian-3-amine is sourced from PubChem (CID 79951460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).