N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C19H20FN5O2S — CID 90634116

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C19H20FN5O2S/c1-12-16(28-19(23-12)25-8-2-3-9-25)17(26)24-14-4-6-15(7-5-14)27-18-21-10-13(20)11-22-18/h2-3,8-11,14-15H,4-7H2,1H3,(H,24,26)
InChIKeyCGSJPWQQEPHDSU-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.29
Rot. Bonds5

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 90634116) has the molecular formula C19H20FN5O2S and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID90634116
Molecular FormulaC19H20FN5O2S
Molecular Weight401.47 g/mol
Exact Mass401.13
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C19H20FN5O2S/c1-12-16(28-19(23-12)25-8-2-3-9-25)17(26)24-14-4-6-15(7-5-14)27-18-21-10-13(20)11-22-18/h2-3,8-11,14-15H,4-7H2,1H3,(H,24,26)
InChIKeyCGSJPWQQEPHDSU-UHFFFAOYSA-N
XLogP3.29
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 90634116) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is CGSJPWQQEPHDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2S/c1-12-16(28-19(23-12)25-8-2-3-9-25)17(26)24-14-4-6-15(7-5-14)27-18-21-10-13(20)11-22-18/h2-3,8-11,14-15H,4-7H2,1H3,(H,24,26).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90634116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).