2-[4-(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C19H24N6O2S2 — CID 47031547

IUPAC2-[4-(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILESCCCCc1nc(C)c(C(=O)N2CCN(c3nn4c(C)cc(=O)nc4s3)CC2)s1
InChIInChI=1S/C19H24N6O2S2/c1-4-5-6-15-20-13(3)16(28-15)17(27)23-7-9-24(10-8-23)19-22-25-12(2)11-14(26)21-18(25)29-19/h11H,4-10H2,1-3H3
InChIKeyIOQMTSOSPBEQFH-UHFFFAOYSA-N
MW432.58 g/mol
LogP2.53
Rot. Bonds5

About 2-[4-(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

2-[4-(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (PubChem CID 47031547) has the molecular formula C19H24N6O2S2 and a molecular weight of 432.58 g/mol. Its IUPAC name is 2-[4-(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[4-(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
PubChem CID47031547
Molecular FormulaC19H24N6O2S2
Molecular Weight432.58 g/mol
Exact Mass432.14
IUPAC Name2-[4-(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILESCCCCc1nc(C)c(C(=O)N2CCN(c3nn4c(C)cc(=O)nc4s3)CC2)s1
InChIInChI=1S/C19H24N6O2S2/c1-4-5-6-15-20-13(3)16(28-15)17(27)23-7-9-24(10-8-23)19-22-25-12(2)11-14(26)21-18(25)29-19/h11H,4-10H2,1-3H3
InChIKeyIOQMTSOSPBEQFH-UHFFFAOYSA-N
XLogP2.53
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.58
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[4-(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one with MolForge

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Related Compounds

(2-butyl-4-methyl-1,3-thiazol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 55684389
N-butyl-7-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 53053753
[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 110389428
azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone
CID 110389446
7-[[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55685909
4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one
CID 55922391
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 39080600
5-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 53053998
7-ethyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 86879035
[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110387114
2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 86879071
[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 110387320

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 2-[4-(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CID 47031547) is 2-[4-(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 2-[4-(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 2-[4-(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is CCCCc1nc(C)c(C(=O)N2CCN(c3nn4c(C)cc(=O)nc4s3)CC2)s1.
What is the InChIKey of 2-[4-(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The InChIKey is IOQMTSOSPBEQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S2/c1-4-5-6-15-20-13(3)16(28-15)17(27)23-7-9-24(10-8-23)19-22-25-12(2)11-14(26)21-18(25)29-19/h11H,4-10H2,1-3H3.
What are the key properties of 2-[4-(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
2-[4-(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has a molecular weight of 432.58 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 47031547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).