N-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinazolin-4-yl]-1,3-thiazol-2-amine

C14H11N7S2 — CID 11501028

IUPACN-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinazolin-4-yl]-1,3-thiazol-2-amine
SMILESCn1cnnc1Sc1ccc2ncnc(Nc3nccs3)c2c1
InChIInChI=1S/C14H11N7S2/c1-21-8-18-20-14(21)23-9-2-3-11-10(6-9)12(17-7-16-11)19-13-15-4-5-22-13/h2-8H,1H3,(H,15,16,17,19)
InChIKeyNSAWKSYKZABCHW-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.11
Rot. Bonds4

About N-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinazolin-4-yl]-1,3-thiazol-2-amine

N-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinazolin-4-yl]-1,3-thiazol-2-amine (PubChem CID 11501028) has the molecular formula C14H11N7S2 and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinazolin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinazolin-4-yl]-1,3-thiazol-2-amine
PubChem CID11501028
Molecular FormulaC14H11N7S2
Molecular Weight341.43 g/mol
Exact Mass341.05
IUPAC NameN-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinazolin-4-yl]-1,3-thiazol-2-amine
SMILESCn1cnnc1Sc1ccc2ncnc(Nc3nccs3)c2c1
InChIInChI=1S/C14H11N7S2/c1-21-8-18-20-14(21)23-9-2-3-11-10(6-9)12(17-7-16-11)19-13-15-4-5-22-13/h2-8H,1H3,(H,15,16,17,19)
InChIKeyNSAWKSYKZABCHW-UHFFFAOYSA-N
XLogP3.11
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinazolin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinazolin-4-yl]-1,3-thiazol-2-amine (CID 11501028) is N-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinazolin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinazolin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinazolin-4-yl]-1,3-thiazol-2-amine is Cn1cnnc1Sc1ccc2ncnc(Nc3nccs3)c2c1.
What is the InChIKey of N-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinazolin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is NSAWKSYKZABCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7S2/c1-21-8-18-20-14(21)23-9-2-3-11-10(6-9)12(17-7-16-11)19-13-15-4-5-22-13/h2-8H,1H3,(H,15,16,17,19).
What are the key properties of N-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinazolin-4-yl]-1,3-thiazol-2-amine?
N-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinazolin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 341.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinazolin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 11501028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).