N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide

C18H18ClN5OS — CID 172903854

IUPACN-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1c(Cl)ccc2sc(N3CCC(NC(=O)c4cnccn4)CC3)nc12
InChIInChI=1S/C18H18ClN5OS/c1-11-13(19)2-3-15-16(11)23-18(26-15)24-8-4-12(5-9-24)22-17(25)14-10-20-6-7-21-14/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,22,25)
InChIKeyIEDNWQQTYMYWHO-UHFFFAOYSA-N
MW387.90 g/mol
LogP3.45
Rot. Bonds3

About N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide

N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 172903854) has the molecular formula C18H18ClN5OS and a molecular weight of 387.90 g/mol. Its IUPAC name is N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID172903854
Molecular FormulaC18H18ClN5OS
Molecular Weight387.90 g/mol
Exact Mass387.09
IUPAC NameN-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1c(Cl)ccc2sc(N3CCC(NC(=O)c4cnccn4)CC3)nc12
InChIInChI=1S/C18H18ClN5OS/c1-11-13(19)2-3-15-16(11)23-18(26-15)24-8-4-12(5-9-24)22-17(25)14-10-20-6-7-21-14/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,22,25)
InChIKeyIEDNWQQTYMYWHO-UHFFFAOYSA-N
XLogP3.45
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.90
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175650848
N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172900415
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172900971
N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 175650547
N-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 175650947
N-(1-quinoxalin-2-ylpiperidin-4-yl)pyrazine-2-carboxamide
CID 172903561
methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 110821817
[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165435628
2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821271
N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide
CID 172903534
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172901024
4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine
CID 16849825

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide (CID 172903854) is N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide is Cc1c(Cl)ccc2sc(N3CCC(NC(=O)c4cnccn4)CC3)nc12.
What is the InChIKey of N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is IEDNWQQTYMYWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5OS/c1-11-13(19)2-3-15-16(11)23-18(26-15)24-8-4-12(5-9-24)22-17(25)14-10-20-6-7-21-14/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,22,25).
What are the key properties of N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide?
N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 387.90 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 172903854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).