2-[1-(aminomethyl)cyclohexyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide

C15H23N3OS — CID 104678033

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
SMILESNCC1(CC(=O)Nc2nc3c(s2)CCC3)CCCCC1
InChIInChI=1S/C15H23N3OS/c16-10-15(7-2-1-3-8-15)9-13(19)18-14-17-11-5-4-6-12(11)20-14/h1-10,16H2,(H,17,18,19)
InChIKeySASYDRUTMISWHU-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.87
Rot. Bonds4

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

2-[1-(aminomethyl)cyclohexyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide (PubChem CID 104678033) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
PubChem CID104678033
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
SMILESNCC1(CC(=O)Nc2nc3c(s2)CCC3)CCCCC1
InChIInChI=1S/C15H23N3OS/c16-10-15(7-2-1-3-8-15)9-13(19)18-14-17-11-5-4-6-12(11)20-14/h1-10,16H2,(H,17,18,19)
InChIKeySASYDRUTMISWHU-UHFFFAOYSA-N
XLogP2.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 82034009
2-[1-(aminomethyl)cyclohexyl]-N-(1,3-benzothiazol-2-yl)acetamide
CID 104677484
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 120772381
N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104678293
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
1-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclobutane-1-carboxamide
CID 81168772
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 30376746
4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxane-4-carboxamide
CID 115439503
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methoxyacetamide
CID 47379488
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methylamino)butanamide
CID 119743801
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxypentanamide
CID 79192385

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide (CID 104678033) is 2-[1-(aminomethyl)cyclohexyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide is NCC1(CC(=O)Nc2nc3c(s2)CCC3)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide?
The InChIKey is SASYDRUTMISWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c16-10-15(7-2-1-3-8-15)9-13(19)18-14-17-11-5-4-6-12(11)20-14/h1-10,16H2,(H,17,18,19).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide has a molecular weight of 293.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide is sourced from PubChem (CID 104678033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).