5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine

C16H22N4S — CID 103363190

IUPAC5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
SMILESCC1(C)CCCN(c2snc(N)c2-c2ccncc2)CC1
InChIInChI=1S/C16H22N4S/c1-16(2)6-3-10-20(11-7-16)15-13(14(17)19-21-15)12-4-8-18-9-5-12/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H2,17,19)
InChIKeyVSURGSIKNOJHKM-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.80
Rot. Bonds2

About 5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine

5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine (PubChem CID 103363190) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
PubChem CID103363190
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
SMILESCC1(C)CCCN(c2snc(N)c2-c2ccncc2)CC1
InChIInChI=1S/C16H22N4S/c1-16(2)6-3-10-20(11-7-16)15-13(14(17)19-21-15)12-4-8-18-9-5-12/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H2,17,19)
InChIKeyVSURGSIKNOJHKM-UHFFFAOYSA-N
XLogP3.80
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine?
The IUPAC name of 5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine (CID 103363190) is 5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine?
The canonical SMILES for 5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine is CC1(C)CCCN(c2snc(N)c2-c2ccncc2)CC1.
What is the InChIKey of 5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine?
The InChIKey is VSURGSIKNOJHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-16(2)6-3-10-20(11-7-16)15-13(14(17)19-21-15)12-4-8-18-9-5-12/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H2,17,19).
What are the key properties of 5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine?
5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine has a molecular weight of 302.45 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine is sourced from PubChem (CID 103363190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).