[3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]azocan-1-yl]-(1,2-thiazol-4-yl)methanone

C18H25N5OS — CID 167937711

IUPAC[3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]azocan-1-yl]-(1,2-thiazol-4-yl)methanone
SMILESCCc1cc(NC2CCCCCN(C(=O)c3cnsc3)C2)nc(C)n1
InChIInChI=1S/C18H25N5OS/c1-3-15-9-17(21-13(2)20-15)22-16-7-5-4-6-8-23(11-16)18(24)14-10-19-25-12-14/h9-10,12,16H,3-8,11H2,1-2H3,(H,20,21,22)
InChIKeyKMTCPRSAYZHQIY-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.30
Rot. Bonds4

About [3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]azocan-1-yl]-(1,2-thiazol-4-yl)methanone

[3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]azocan-1-yl]-(1,2-thiazol-4-yl)methanone (PubChem CID 167937711) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is [3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]azocan-1-yl]-(1,2-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]azocan-1-yl]-(1,2-thiazol-4-yl)methanone
PubChem CID167937711
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name[3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]azocan-1-yl]-(1,2-thiazol-4-yl)methanone
SMILESCCc1cc(NC2CCCCCN(C(=O)c3cnsc3)C2)nc(C)n1
InChIInChI=1S/C18H25N5OS/c1-3-15-9-17(21-13(2)20-15)22-16-7-5-4-6-8-23(11-16)18(24)14-10-19-25-12-14/h9-10,12,16H,3-8,11H2,1-2H3,(H,20,21,22)
InChIKeyKMTCPRSAYZHQIY-UHFFFAOYSA-N
XLogP3.30
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]azocan-1-yl]-(1,2-thiazol-4-yl)methanone with MolForge

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Related Compounds

1-[3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 133472372
2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133472742
[1-(difluoromethyl)pyrazol-4-yl]-[3-[(2,5,6-trimethylpyrimidin-4-yl)amino]azocan-1-yl]methanone
CID 154788196
(3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone
CID 138007611
[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol
CID 133472380
[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133367003
2-cyclopentyl-N-[(R)-pyridin-2-yl-[(3R)-1-(1,2-thiazole-4-carbonyl)piperidin-3-yl]methyl]acetamide
CID 92577146
4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79110713
[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 133472420
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 133461679
6-(cyclohexylamino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362124
[3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110269486

Frequently Asked Questions

What is the IUPAC name of [3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]azocan-1-yl]-(1,2-thiazol-4-yl)methanone?
The IUPAC name of [3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]azocan-1-yl]-(1,2-thiazol-4-yl)methanone (CID 167937711) is [3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]azocan-1-yl]-(1,2-thiazol-4-yl)methanone.
What is the SMILES notation for [3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]azocan-1-yl]-(1,2-thiazol-4-yl)methanone?
The canonical SMILES for [3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]azocan-1-yl]-(1,2-thiazol-4-yl)methanone is CCc1cc(NC2CCCCCN(C(=O)c3cnsc3)C2)nc(C)n1.
What is the InChIKey of [3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]azocan-1-yl]-(1,2-thiazol-4-yl)methanone?
The InChIKey is KMTCPRSAYZHQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-3-15-9-17(21-13(2)20-15)22-16-7-5-4-6-8-23(11-16)18(24)14-10-19-25-12-14/h9-10,12,16H,3-8,11H2,1-2H3,(H,20,21,22).
What are the key properties of [3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]azocan-1-yl]-(1,2-thiazol-4-yl)methanone?
[3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]azocan-1-yl]-(1,2-thiazol-4-yl)methanone has a molecular weight of 359.50 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]azocan-1-yl]-(1,2-thiazol-4-yl)methanone is sourced from PubChem (CID 167937711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).