5-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine

C14H25N3S — CID 107401418

IUPAC5-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN(CC)CC2CCC2)s1
InChIInChI=1S/C14H25N3S/c1-3-8-15-14-16-9-13(18-14)11-17(4-2)10-12-6-5-7-12/h9,12H,3-8,10-11H2,1-2H3,(H,15,16)
InChIKeyIOYRSOHSTNMJMG-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.59
Rot. Bonds8

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

5-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 107401418) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 5-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID107401418
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name5-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN(CC)CC2CCC2)s1
InChIInChI=1S/C14H25N3S/c1-3-8-15-14-16-9-13(18-14)11-17(4-2)10-12-6-5-7-12/h9,12H,3-8,10-11H2,1-2H3,(H,15,16)
InChIKeyIOYRSOHSTNMJMG-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 314318
N-{5-[(4-methylpiperidyl)methyl]-1,3-thiazol-2-yl}acetamide
CID 671270
5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 71912730
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
5-(aminomethyl)-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine
CID 174276405
N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine
CID 43755056
N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112013
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112014
5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112446
N-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112589
N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750611

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine (CID 107401418) is 5-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(CN(CC)CC2CCC2)s1.
What is the InChIKey of 5-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is IOYRSOHSTNMJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-8-15-14-16-9-13(18-14)11-17(4-2)10-12-6-5-7-12/h9,12H,3-8,10-11H2,1-2H3,(H,15,16).
What are the key properties of 5-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
5-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 107401418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).