5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine

C15H27N3S — CID 79396354

IUPAC5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N(C)C2CCCCCC2)sc1CN
InChIInChI=1S/C15H27N3S/c1-11(2)14-13(10-16)19-15(17-14)18(3)12-8-6-4-5-7-9-12/h11-12H,4-10,16H2,1-3H3
InChIKeyQFQSRAJITIFRNF-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.88
Rot. Bonds4

About 5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine

5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 79396354) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID79396354
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N(C)C2CCCCCC2)sc1CN
InChIInChI=1S/C15H27N3S/c1-11(2)14-13(10-16)19-15(17-14)18(3)12-8-6-4-5-7-9-12/h11-12H,4-10,16H2,1-3H3
InChIKeyQFQSRAJITIFRNF-UHFFFAOYSA-N
XLogP3.88
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395051
5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine
CID 79395615
5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393376
N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395531
[2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392778
5-(aminomethyl)-N-cyclopropyl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766909
5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79396248
2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191924
N-cyclopentyl-4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63917340
5-[(tert-butylamino)methyl]-N-cyclohexyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62763955
5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392583
[2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79393020

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine (CID 79396354) is 5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1nc(N(C)C2CCCCCC2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is QFQSRAJITIFRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11(2)14-13(10-16)19-15(17-14)18(3)12-8-6-4-5-7-9-12/h11-12H,4-10,16H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79396354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).