N-[6-(2-methyl-1,3-thiazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine

C19H13N5S2 — CID 177371833

IUPACN-[6-(2-methyl-1,3-thiazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
SMILESCc1ncc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)s1
InChIInChI=1S/C19H13N5S2/c1-11-20-8-18(26-11)12-2-4-15-14(6-12)19(22-9-21-15)24-13-3-5-17-16(7-13)23-10-25-17/h2-10H,1H3,(H,21,22,24)
InChIKeyZRXMMRXSNDQWGP-UHFFFAOYSA-N
MW375.48 g/mol
LogP5.42
Rot. Bonds3

About N-[6-(2-methyl-1,3-thiazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine

N-[6-(2-methyl-1,3-thiazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine (PubChem CID 177371833) has the molecular formula C19H13N5S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[6-(2-methyl-1,3-thiazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[6-(2-methyl-1,3-thiazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
PubChem CID177371833
Molecular FormulaC19H13N5S2
Molecular Weight375.48 g/mol
Exact Mass375.06
IUPAC NameN-[6-(2-methyl-1,3-thiazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
SMILESCc1ncc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)s1
InChIInChI=1S/C19H13N5S2/c1-11-20-8-18(26-11)12-2-4-15-14(6-12)19(22-9-21-15)24-13-3-5-17-16(7-13)23-10-25-17/h2-10H,1H3,(H,21,22,24)
InChIKeyZRXMMRXSNDQWGP-UHFFFAOYSA-N
XLogP5.42
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.48
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methyl-1,3-thiazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
The IUPAC name of N-[6-(2-methyl-1,3-thiazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine (CID 177371833) is N-[6-(2-methyl-1,3-thiazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-[6-(2-methyl-1,3-thiazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
The canonical SMILES for N-[6-(2-methyl-1,3-thiazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine is Cc1ncc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)s1.
What is the InChIKey of N-[6-(2-methyl-1,3-thiazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
The InChIKey is ZRXMMRXSNDQWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5S2/c1-11-20-8-18(26-11)12-2-4-15-14(6-12)19(22-9-21-15)24-13-3-5-17-16(7-13)23-10-25-17/h2-10H,1H3,(H,21,22,24).
What are the key properties of N-[6-(2-methyl-1,3-thiazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
N-[6-(2-methyl-1,3-thiazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine has a molecular weight of 375.48 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methyl-1,3-thiazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine is sourced from PubChem (CID 177371833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).