1-N-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]propane-1,2-diamine

C23H24N8S — CID 123613460

IUPAC1-N-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]propane-1,2-diamine
SMILESCc1nc2ccc(CNCC(C)N)cn2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C23H24N8S/c1-14(24)10-25-11-16-8-9-18-28-15(2)20(31(18)12-16)23-29-19(17-6-4-3-5-7-17)21(32-23)22-26-13-27-30-22/h3-9,12-14,25H,10-11,24H2,1-2H3,(H,26,27,30)
InChIKeyAYYQTYMRWIUEDR-UHFFFAOYSA-N
MW444.57 g/mol
LogP3.66
Rot. Bonds7

About 1-N-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]propane-1,2-diamine

1-N-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]propane-1,2-diamine (PubChem CID 123613460) has the molecular formula C23H24N8S and a molecular weight of 444.57 g/mol. Its IUPAC name is 1-N-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]propane-1,2-diamine
PubChem CID123613460
Molecular FormulaC23H24N8S
Molecular Weight444.57 g/mol
Exact Mass444.18
IUPAC Name1-N-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]propane-1,2-diamine
SMILESCc1nc2ccc(CNCC(C)N)cn2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C23H24N8S/c1-14(24)10-25-11-16-8-9-18-28-15(2)20(31(18)12-16)23-29-19(17-6-4-3-5-7-17)21(32-23)22-26-13-27-30-22/h3-9,12-14,25H,10-11,24H2,1-2H3,(H,26,27,30)
InChIKeyAYYQTYMRWIUEDR-UHFFFAOYSA-N
XLogP3.66
TPSA109.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-N-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]propane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]propane-1,2-diamine?
The IUPAC name of 1-N-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]propane-1,2-diamine (CID 123613460) is 1-N-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]propane-1,2-diamine is Cc1nc2ccc(CNCC(C)N)cn2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.
What is the InChIKey of 1-N-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]propane-1,2-diamine?
The InChIKey is AYYQTYMRWIUEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8S/c1-14(24)10-25-11-16-8-9-18-28-15(2)20(31(18)12-16)23-29-19(17-6-4-3-5-7-17)21(32-23)22-26-13-27-30-22/h3-9,12-14,25H,10-11,24H2,1-2H3,(H,26,27,30).
What are the key properties of 1-N-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]propane-1,2-diamine?
1-N-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]propane-1,2-diamine has a molecular weight of 444.57 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]propane-1,2-diamine is sourced from PubChem (CID 123613460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).