N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide

C16H16N4OS — CID 121144787

IUPACN-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide
SMILESO=C(NC1CCN(c2nccs2)C1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H16N4OS/c21-15(13-9-18-14-4-2-1-3-12(13)14)19-11-5-7-20(10-11)16-17-6-8-22-16/h1-4,6,8-9,11,18H,5,7,10H2,(H,19,21)
InChIKeyDPWQWULODHXTJS-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.63
Rot. Bonds3

About N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide

N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide (PubChem CID 121144787) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide
PubChem CID121144787
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide
SMILESO=C(NC1CCN(c2nccs2)C1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H16N4OS/c21-15(13-9-18-14-4-2-1-3-12(13)14)19-11-5-7-20(10-11)16-17-6-8-22-16/h1-4,6,8-9,11,18H,5,7,10H2,(H,19,21)
InChIKeyDPWQWULODHXTJS-UHFFFAOYSA-N
XLogP2.63
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-pyridin-2-ylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 90621383
2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144744
1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 99875460
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide
CID 121144564
4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144583
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide
CID 119105652
N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 167818595
2-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597201
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide
CID 121144632
N-[1-[5-(hydroxycarbamoyl)-2-pyridinyl]piperidin-4-yl]-1H-indole-3-carboxamide
CID 11417616
4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide
CID 138992263
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide
CID 42512291

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide (CID 121144787) is N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide is O=C(NC1CCN(c2nccs2)C1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide?
The InChIKey is DPWQWULODHXTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c21-15(13-9-18-14-4-2-1-3-12(13)14)19-11-5-7-20(10-11)16-17-6-8-22-16/h1-4,6,8-9,11,18H,5,7,10H2,(H,19,21).
What are the key properties of N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide?
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide is sourced from PubChem (CID 121144787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).