4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine

C15H21N3S2 — CID 82423690

IUPAC4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2cnc(C3CCCCC3)s2)cs1
InChIInChI=1S/C15H21N3S2/c1-2-8-16-15-18-12(10-19-15)13-9-17-14(20-13)11-6-4-3-5-7-11/h9-11H,2-8H2,1H3,(H,16,18)
InChIKeyQGMVMTHOOWLZNZ-UHFFFAOYSA-N
MW307.49 g/mol
LogP5.14
Rot. Bonds5

About 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine

4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 82423690) has the molecular formula C15H21N3S2 and a molecular weight of 307.49 g/mol. Its IUPAC name is 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
PubChem CID82423690
Molecular FormulaC15H21N3S2
Molecular Weight307.49 g/mol
Exact Mass307.12
IUPAC Name4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2cnc(C3CCCCC3)s2)cs1
InChIInChI=1S/C15H21N3S2/c1-2-8-16-15-18-12(10-19-15)13-9-17-14(20-13)11-6-4-3-5-7-11/h9-11H,2-8H2,1H3,(H,16,18)
InChIKeyQGMVMTHOOWLZNZ-UHFFFAOYSA-N
XLogP5.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.49
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82423655
5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82423523
4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82423280
4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82514661
N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82424494
N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82422498
4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82435996
4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82431258
4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine
CID 82424663
N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 113283361
4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962689
4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82432281

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine (CID 82423690) is 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine is CCCNc1nc(-c2cnc(C3CCCCC3)s2)cs1.
What is the InChIKey of 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is QGMVMTHOOWLZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S2/c1-2-8-16-15-18-12(10-19-15)13-9-17-14(20-13)11-6-4-3-5-7-11/h9-11H,2-8H2,1H3,(H,16,18).
What are the key properties of 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine?
4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 307.49 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82423690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).