N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C24H24ClN7O4S2 — CID 139509532

IUPACN-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1(CN)CCN(c2ncc(Sc3cccc(NC(=O)c4c(O)nc5sccn5c4=O)c3Cl)[nH]c2=O)CC1
InChIInChI=1S/C24H24ClN7O4S2/c1-24(12-26)5-7-31(8-6-24)18-21(35)29-15(11-27-18)38-14-4-2-3-13(17(14)25)28-19(33)16-20(34)30-23-32(22(16)36)9-10-37-23/h2-4,9-11,34H,5-8,12,26H2,1H3,(H,28,33)(H,29,35)
InChIKeyMSFVHRSFOPOBSY-UHFFFAOYSA-N
MW574.09 g/mol
LogP3.17
Rot. Bonds6

About N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 139509532) has the molecular formula C24H24ClN7O4S2 and a molecular weight of 574.09 g/mol. Its IUPAC name is N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID139509532
Molecular FormulaC24H24ClN7O4S2
Molecular Weight574.09 g/mol
Exact Mass573.10
IUPAC NameN-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1(CN)CCN(c2ncc(Sc3cccc(NC(=O)c4c(O)nc5sccn5c4=O)c3Cl)[nH]c2=O)CC1
InChIInChI=1S/C24H24ClN7O4S2/c1-24(12-26)5-7-31(8-6-24)18-21(35)29-15(11-27-18)38-14-4-2-3-13(17(14)25)28-19(33)16-20(34)30-23-32(22(16)36)9-10-37-23/h2-4,9-11,34H,5-8,12,26H2,1H3,(H,28,33)(H,29,35)
InChIKeyMSFVHRSFOPOBSY-UHFFFAOYSA-N
XLogP3.17
TPSA158.71 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.09
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 139509532) is N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1(CN)CCN(c2ncc(Sc3cccc(NC(=O)c4c(O)nc5sccn5c4=O)c3Cl)[nH]c2=O)CC1.
What is the InChIKey of N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is MSFVHRSFOPOBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O4S2/c1-24(12-26)5-7-31(8-6-24)18-21(35)29-15(11-27-18)38-14-4-2-3-13(17(14)25)28-19(33)16-20(34)30-23-32(22(16)36)9-10-37-23/h2-4,9-11,34H,5-8,12,26H2,1H3,(H,28,33)(H,29,35).
What are the key properties of N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 574.09 g/mol, XLogP of 3.17, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 139509532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).