N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine

C16H17N5S2 — CID 155986742

IUPACN-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
SMILESc1ccc(Nc2nc(C3CCCN3Cc3cncs3)cs2)nc1
InChIInChI=1S/C16H17N5S2/c1-2-6-18-15(5-1)20-16-19-13(10-22-16)14-4-3-7-21(14)9-12-8-17-11-23-12/h1-2,5-6,8,10-11,14H,3-4,7,9H2,(H,18,19,20)
InChIKeyOLOXXCUBBRVUIZ-UHFFFAOYSA-N
MW343.48 g/mol
LogP4.08
Rot. Bonds5

About N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine

N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine (PubChem CID 155986742) has the molecular formula C16H17N5S2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
PubChem CID155986742
Molecular FormulaC16H17N5S2
Molecular Weight343.48 g/mol
Exact Mass343.09
IUPAC NameN-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
SMILESc1ccc(Nc2nc(C3CCCN3Cc3cncs3)cs2)nc1
InChIInChI=1S/C16H17N5S2/c1-2-6-18-15(5-1)20-16-19-13(10-22-16)14-4-3-7-21(14)9-12-8-17-11-23-12/h1-2,5-6,8,10-11,14H,3-4,7,9H2,(H,18,19,20)
InChIKeyOLOXXCUBBRVUIZ-UHFFFAOYSA-N
XLogP4.08
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 110270492
N-methyl-2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 175655316
N-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide
CID 155986787
4-(1-pyrazin-2-ylpyrrolidin-2-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 110270514
1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110270541
N-methyl-4-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridin-2-amine
CID 124964991
N-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 124973071
N-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide
CID 124953425
2-[[4-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]amino]pyridine-4-carbonitrile
CID 132770960
2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 118740364
3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid
CID 110270511
4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 110111543

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine (CID 155986742) is N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine is c1ccc(Nc2nc(C3CCCN3Cc3cncs3)cs2)nc1.
What is the InChIKey of N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is OLOXXCUBBRVUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S2/c1-2-6-18-15(5-1)20-16-19-13(10-22-16)14-4-3-7-21(14)9-12-8-17-11-23-12/h1-2,5-6,8,10-11,14H,3-4,7,9H2,(H,18,19,20).
What are the key properties of N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine?
N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 343.48 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155986742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).