4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazine-1-carboxamide

C15H17N7OS — CID 5329331

IUPAC4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazine-1-carboxamide
SMILESN#Cc1cnc(Nc2cc(CN3CCN(C(N)=O)CC3)ccn2)s1
InChIInChI=1S/C15H17N7OS/c16-8-12-9-19-15(24-12)20-13-7-11(1-2-18-13)10-21-3-5-22(6-4-21)14(17)23/h1-2,7,9H,3-6,10H2,(H2,17,23)(H,18,19,20)
InChIKeyUSBODMLQZDZYEC-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.35
Rot. Bonds4

About 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazine-1-carboxamide

4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazine-1-carboxamide (PubChem CID 5329331) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazine-1-carboxamide
PubChem CID5329331
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC Name4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazine-1-carboxamide
SMILESN#Cc1cnc(Nc2cc(CN3CCN(C(N)=O)CC3)ccn2)s1
InChIInChI=1S/C15H17N7OS/c16-8-12-9-19-15(24-12)20-13-7-11(1-2-18-13)10-21-3-5-22(6-4-21)14(17)23/h1-2,7,9H,3-6,10H2,(H2,17,23)(H,18,19,20)
InChIKeyUSBODMLQZDZYEC-UHFFFAOYSA-N
XLogP1.35
TPSA111.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazine-1-carboxamide (CID 5329331) is 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazine-1-carboxamide is N#Cc1cnc(Nc2cc(CN3CCN(C(N)=O)CC3)ccn2)s1.
What is the InChIKey of 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazine-1-carboxamide?
The InChIKey is USBODMLQZDZYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c16-8-12-9-19-15(24-12)20-13-7-11(1-2-18-13)10-21-3-5-22(6-4-21)14(17)23/h1-2,7,9H,3-6,10H2,(H2,17,23)(H,18,19,20).
What are the key properties of 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazine-1-carboxamide?
4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazine-1-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 5329331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).