N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1,3-thiazole-4-carboxamide

C18H25N5OS — CID 45252143

IUPACN-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(N(C)C2CCCCC2)ncc1C(C)NC(=O)c1cscn1
InChIInChI=1S/C18H25N5OS/c1-12(21-17(24)16-10-25-11-20-16)15-9-19-18(22-13(15)2)23(3)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,21,24)
InChIKeyOOGIDZWLPYJUKE-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.50
Rot. Bonds5

About N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1,3-thiazole-4-carboxamide

N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 45252143) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID45252143
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(N(C)C2CCCCC2)ncc1C(C)NC(=O)c1cscn1
InChIInChI=1S/C18H25N5OS/c1-12(21-17(24)16-10-25-11-20-16)15-9-19-18(22-13(15)2)23(3)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,21,24)
InChIKeyOOGIDZWLPYJUKE-UHFFFAOYSA-N
XLogP3.50
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 56819383
CID 137643314
CID 137643314
CID 56915971
CID 56915971
CID 72874872
CID 72874872
CID 49670072
CID 49670072
CID 49670117
CID 49670117
CID 56886135
CID 56886135
CID 56915820
CID 56915820

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1,3-thiazole-4-carboxamide (CID 45252143) is N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1,3-thiazole-4-carboxamide is Cc1nc(N(C)C2CCCCC2)ncc1C(C)NC(=O)c1cscn1.
What is the InChIKey of N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is OOGIDZWLPYJUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-12(21-17(24)16-10-25-11-20-16)15-9-19-18(22-13(15)2)23(3)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,21,24).
What are the key properties of N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1,3-thiazole-4-carboxamide?
N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 45252143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).