N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide

C16H16N4OS2 — CID 162634908

IUPACN-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide
SMILESO=C(NCc1csc(N2CCCC2)n1)c1cccc2ncsc12
InChIInChI=1S/C16H16N4OS2/c21-15(12-4-3-5-13-14(12)23-10-18-13)17-8-11-9-22-16(19-11)20-6-1-2-7-20/h3-5,9-10H,1-2,6-8H2,(H,17,21)
InChIKeyPNEIVPXGPVRVGL-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.28
Rot. Bonds4

About N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide

N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide (PubChem CID 162634908) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide
PubChem CID162634908
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC NameN-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide
SMILESO=C(NCc1csc(N2CCCC2)n1)c1cccc2ncsc12
InChIInChI=1S/C16H16N4OS2/c21-15(12-4-3-5-13-14(12)23-10-18-13)17-8-11-9-22-16(19-11)20-6-1-2-7-20/h3-5,9-10H,1-2,6-8H2,(H,17,21)
InChIKeyPNEIVPXGPVRVGL-UHFFFAOYSA-N
XLogP3.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide
CID 138807113
N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride
CID 140822101
2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 91760407
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 72842732
2-methoxy-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72840477
2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide
CID 74231803
acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 154905954
2-oxo-7-propan-2-yloxy-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]chromene-3-carboxamide
CID 171915356
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 77090264
1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea
CID 118791530
3-methyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398163
3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide?
The IUPAC name of N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide (CID 162634908) is N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide.
What is the SMILES notation for N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide?
The canonical SMILES for N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide is O=C(NCc1csc(N2CCCC2)n1)c1cccc2ncsc12.
What is the InChIKey of N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide?
The InChIKey is PNEIVPXGPVRVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c21-15(12-4-3-5-13-14(12)23-10-18-13)17-8-11-9-22-16(19-11)20-6-1-2-7-20/h3-5,9-10H,1-2,6-8H2,(H,17,21).
What are the key properties of N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide?
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide has a molecular weight of 344.47 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide is sourced from PubChem (CID 162634908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).