N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine

C16H26N2OS — CID 61335475

IUPACN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
SMILESCOC(C)(C)CC(C)(NC1CC1)c1nc2c(s1)CCC2
InChIInChI=1S/C16H26N2OS/c1-15(2,19-4)10-16(3,18-11-8-9-11)14-17-12-6-5-7-13(12)20-14/h11,18H,5-10H2,1-4H3
InChIKeyNCPVFSKDGAUYDS-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.41
Rot. Bonds6

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

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine (PubChem CID 61335475) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
PubChem CID61335475
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
SMILESCOC(C)(C)CC(C)(NC1CC1)c1nc2c(s1)CCC2
InChIInChI=1S/C16H26N2OS/c1-15(2,19-4)10-16(3,18-11-8-9-11)14-17-12-6-5-7-13(12)20-14/h11,18H,5-10H2,1-4H3
InChIKeyNCPVFSKDGAUYDS-UHFFFAOYSA-N
XLogP3.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylpentan-2-yl]cyclopropanamine
CID 61334100
N-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine
CID 61334892
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine
CID 62542108
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylheptan-2-amine
CID 80558649
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
CID 62541934
2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine
CID 55222989
N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-2-amine
CID 80556446
1-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine
CID 114276076
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-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)butan-2-amine
CID 63526067
5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine
CID 63405307
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-N-propylpentan-3-amine
CID 61334992

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine?
The IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine (CID 61335475) is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine.
What is the SMILES notation for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine?
The canonical SMILES for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine is COC(C)(C)CC(C)(NC1CC1)c1nc2c(s1)CCC2.
What is the InChIKey of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine?
The InChIKey is NCPVFSKDGAUYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-15(2,19-4)10-16(3,18-11-8-9-11)14-17-12-6-5-7-13(12)20-14/h11,18H,5-10H2,1-4H3.
What are the key properties of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine?
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine has a molecular weight of 294.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine is sourced from PubChem (CID 61335475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).