1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine

C11H18N2S — CID 61332546

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1nc2c(s1)CCC2
InChIInChI=1S/C11H18N2S/c1-3-5-9(12-2)11-13-8-6-4-7-10(8)14-11/h9,12H,3-7H2,1-2H3
InChIKeyAGPUMXVBIPBRPB-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.69
Rot. Bonds4

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine (PubChem CID 61332546) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine
PubChem CID61332546
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1nc2c(s1)CCC2
InChIInChI=1S/C11H18N2S/c1-3-5-9(12-2)11-13-8-6-4-7-10(8)14-11/h9,12H,3-7H2,1-2H3
InChIKeyAGPUMXVBIPBRPB-UHFFFAOYSA-N
XLogP2.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propyl]cyclopropanamine
CID 61333321
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-ethylsulfanylpropan-1-amine
CID 116504467
1-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-N-methylethanamine
CID 5152860
N,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine
CID 61333005
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62542082
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-1-amine
CID 61332281
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
CID 167624671
N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
CID 62071955
1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
CID 115524807
2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine
CID 61335438
3-methoxy-3-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine
CID 106676110
2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 130511936

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine (CID 61332546) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine is CCCC(NC)c1nc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine?
The InChIKey is AGPUMXVBIPBRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-3-5-9(12-2)11-13-8-6-4-7-10(8)14-11/h9,12H,3-7H2,1-2H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine has a molecular weight of 210.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 61332546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).