N-[(6-methylpyrimidin-4-yl)methyl]-1-(1,3-thiazol-2-ylamino)cyclohexane-1-carboxamide

C16H21N5OS — CID 136571150

IUPACN-[(6-methylpyrimidin-4-yl)methyl]-1-(1,3-thiazol-2-ylamino)cyclohexane-1-carboxamide
SMILESCc1cc(CNC(=O)C2(Nc3nccs3)CCCCC2)ncn1
InChIInChI=1S/C16H21N5OS/c1-12-9-13(20-11-19-12)10-18-14(22)16(5-3-2-4-6-16)21-15-17-7-8-23-15/h7-9,11H,2-6,10H2,1H3,(H,17,21)(H,18,22)
InChIKeyOEICHRZNKWCZLW-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.67
Rot. Bonds5

About N-[(6-methylpyrimidin-4-yl)methyl]-1-(1,3-thiazol-2-ylamino)cyclohexane-1-carboxamide

N-[(6-methylpyrimidin-4-yl)methyl]-1-(1,3-thiazol-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 136571150) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(6-methylpyrimidin-4-yl)methyl]-1-(1,3-thiazol-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(6-methylpyrimidin-4-yl)methyl]-1-(1,3-thiazol-2-ylamino)cyclohexane-1-carboxamide
PubChem CID136571150
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC NameN-[(6-methylpyrimidin-4-yl)methyl]-1-(1,3-thiazol-2-ylamino)cyclohexane-1-carboxamide
SMILESCc1cc(CNC(=O)C2(Nc3nccs3)CCCCC2)ncn1
InChIInChI=1S/C16H21N5OS/c1-12-9-13(20-11-19-12)10-18-14(22)16(5-3-2-4-6-16)21-15-17-7-8-23-15/h7-9,11H,2-6,10H2,1H3,(H,17,21)(H,18,22)
InChIKeyOEICHRZNKWCZLW-UHFFFAOYSA-N
XLogP2.67
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]-1-(1,3-thiazol-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]-1-(1,3-thiazol-2-ylamino)cyclohexane-1-carboxamide (CID 136571150) is N-[(6-methylpyrimidin-4-yl)methyl]-1-(1,3-thiazol-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(6-methylpyrimidin-4-yl)methyl]-1-(1,3-thiazol-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(6-methylpyrimidin-4-yl)methyl]-1-(1,3-thiazol-2-ylamino)cyclohexane-1-carboxamide is Cc1cc(CNC(=O)C2(Nc3nccs3)CCCCC2)ncn1.
What is the InChIKey of N-[(6-methylpyrimidin-4-yl)methyl]-1-(1,3-thiazol-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is OEICHRZNKWCZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-12-9-13(20-11-19-12)10-18-14(22)16(5-3-2-4-6-16)21-15-17-7-8-23-15/h7-9,11H,2-6,10H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N-[(6-methylpyrimidin-4-yl)methyl]-1-(1,3-thiazol-2-ylamino)cyclohexane-1-carboxamide?
N-[(6-methylpyrimidin-4-yl)methyl]-1-(1,3-thiazol-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylpyrimidin-4-yl)methyl]-1-(1,3-thiazol-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 136571150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).