1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide

C16H26N4OS — CID 120606542

IUPAC1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2nc(CN3CCCCC3)cs2)CCCCC1
InChIInChI=1S/C16H26N4OS/c17-16(7-3-1-4-8-16)14(21)19-15-18-13(12-22-15)11-20-9-5-2-6-10-20/h12H,1-11,17H2,(H,18,19,21)
InChIKeyJYRCRVLARUDADF-UHFFFAOYSA-N
MW322.48 g/mol
LogP2.73
Rot. Bonds4

About 1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide

1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide (PubChem CID 120606542) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
PubChem CID120606542
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2nc(CN3CCCCC3)cs2)CCCCC1
InChIInChI=1S/C16H26N4OS/c17-16(7-3-1-4-8-16)14(21)19-15-18-13(12-22-15)11-20-9-5-2-6-10-20/h12H,1-11,17H2,(H,18,19,21)
InChIKeyJYRCRVLARUDADF-UHFFFAOYSA-N
XLogP2.73
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119830558
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 30182797
(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830474
4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride
CID 120639846
2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830465
1-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 54959029
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 75498849
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbenzamide
CID 30183729
2-[4-(difluoromethoxy)phenyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 30183810
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide (CID 120606542) is 1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide is NC1(C(=O)Nc2nc(CN3CCCCC3)cs2)CCCCC1.
What is the InChIKey of 1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The InChIKey is JYRCRVLARUDADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c17-16(7-3-1-4-8-16)14(21)19-15-18-13(12-22-15)11-20-9-5-2-6-10-20/h12H,1-11,17H2,(H,18,19,21).
What are the key properties of 1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide has a molecular weight of 322.48 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 120606542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).