5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine

C14H25N3S — CID 120899012

IUPAC5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCCN(Cc1cnc(N)s1)CC1CCCCC1
InChIInChI=1S/C14H25N3S/c1-2-8-17(10-12-6-4-3-5-7-12)11-13-9-16-14(15)18-13/h9,12H,2-8,10-11H2,1H3,(H2,15,16)
InChIKeyVUNUDKYRLWHMRV-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.52
Rot. Bonds6

About 5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine

5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 120899012) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID120899012
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCCN(Cc1cnc(N)s1)CC1CCCCC1
InChIInChI=1S/C14H25N3S/c1-2-8-17(10-12-6-4-3-5-7-12)11-13-9-16-14(15)18-13/h9,12H,2-8,10-11H2,1H3,(H2,15,16)
InChIKeyVUNUDKYRLWHMRV-UHFFFAOYSA-N
XLogP3.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 71912730
2-Methyl-1-(4-methylcyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 75533391
5-(1-Azaspiro[4.5]decan-1-ylmethyl)-1,3-thiazol-2-amine
CID 120903959
N'-(cyclohexylmethyl)-N,N-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 126804159
N,N-dimethyl-5-[[(4S)-4-propan-2-ylazepan-1-yl]methyl]-1,3-thiazol-2-amine
CID 164638936
5-(aminomethyl)-N-[(4,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-amine
CID 174276324
2-methyl-N-[[2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65530972
N-[[2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 65531157
N-methyl-1-[2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 65531165
N-[[2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65531344
2-methyl-N-[[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65531535
N-[[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 65531542

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine (CID 120899012) is 5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine is CCCN(Cc1cnc(N)s1)CC1CCCCC1.
What is the InChIKey of 5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is VUNUDKYRLWHMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-2-8-17(10-12-6-4-3-5-7-12)11-13-9-16-14(15)18-13/h9,12H,2-8,10-11H2,1H3,(H2,15,16).
What are the key properties of 5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine?
5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120899012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).