7-[[4-(1-cyclopropyltetrazol-5-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H17N7OS — CID 134020184

IUPAC7-[[4-(1-cyclopropyltetrazol-5-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CNc3ccc(-c4nnnn4C4CC4)cc3)cc(=O)n12
InChIInChI=1S/C18H17N7OS/c1-11-10-27-18-20-14(8-16(26)24(11)18)9-19-13-4-2-12(3-5-13)17-21-22-23-25(17)15-6-7-15/h2-5,8,10,15,19H,6-7,9H2,1H3
InChIKeyDCTWQPDXJFEJFP-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.66
Rot. Bonds5

About 7-[[4-(1-cyclopropyltetrazol-5-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-(1-cyclopropyltetrazol-5-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 134020184) has the molecular formula C18H17N7OS and a molecular weight of 379.45 g/mol. Its IUPAC name is 7-[[4-(1-cyclopropyltetrazol-5-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(1-cyclopropyltetrazol-5-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID134020184
Molecular FormulaC18H17N7OS
Molecular Weight379.45 g/mol
Exact Mass379.12
IUPAC Name7-[[4-(1-cyclopropyltetrazol-5-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CNc3ccc(-c4nnnn4C4CC4)cc3)cc(=O)n12
InChIInChI=1S/C18H17N7OS/c1-11-10-27-18-20-14(8-16(26)24(11)18)9-19-13-4-2-12(3-5-13)17-21-22-23-25(17)15-6-7-15/h2-5,8,10,15,19H,6-7,9H2,1H3
InChIKeyDCTWQPDXJFEJFP-UHFFFAOYSA-N
XLogP2.66
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[[4-(1-cyclopropyltetrazol-5-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

methyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzoate
CID 17424702
7-[(3-bromo-4-methylanilino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42888721
7-[(9H-fluoren-2-ylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 134062848
4-(1-cyclopropyltetrazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 47030233
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 60724572
4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline
CID 63090376
4-(1-cyclopropyltetrazol-5-yl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]aniline
CID 71972936
3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 86856076
tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate
CID 65142786
2-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
CID 62696181
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 39998898
N-cyclohexyl-3-methyl-4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzamide
CID 55918125

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(1-cyclopropyltetrazol-5-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(1-cyclopropyltetrazol-5-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 134020184) is 7-[[4-(1-cyclopropyltetrazol-5-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(1-cyclopropyltetrazol-5-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(1-cyclopropyltetrazol-5-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CNc3ccc(-c4nnnn4C4CC4)cc3)cc(=O)n12.
What is the InChIKey of 7-[[4-(1-cyclopropyltetrazol-5-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is DCTWQPDXJFEJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7OS/c1-11-10-27-18-20-14(8-16(26)24(11)18)9-19-13-4-2-12(3-5-13)17-21-22-23-25(17)15-6-7-15/h2-5,8,10,15,19H,6-7,9H2,1H3.
What are the key properties of 7-[[4-(1-cyclopropyltetrazol-5-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(1-cyclopropyltetrazol-5-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 379.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(1-cyclopropyltetrazol-5-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 134020184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).