4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine

C19H27N5S2 — CID 54765297

IUPAC4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine
SMILESCCCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)nc(C)nc2s1
InChIInChI=1S/C19H27N5S2/c1-5-6-14-11-15-16(21-13(2)22-17(15)25-14)23-7-9-24(10-8-23)18-20-12-19(3,4)26-18/h11H,5-10,12H2,1-4H3
InChIKeyPWMHZIKPJJMHGM-UHFFFAOYSA-N
MW389.59 g/mol
LogP3.96
Rot. Bonds3

About 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine

4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine (PubChem CID 54765297) has the molecular formula C19H27N5S2 and a molecular weight of 389.59 g/mol. Its IUPAC name is 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine
PubChem CID54765297
Molecular FormulaC19H27N5S2
Molecular Weight389.59 g/mol
Exact Mass389.17
IUPAC Name4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine
SMILESCCCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)nc(C)nc2s1
InChIInChI=1S/C19H27N5S2/c1-5-6-14-11-15-16(21-13(2)22-17(15)25-14)23-7-9-24(10-8-23)18-20-12-19(3,4)26-18/h11H,5-10,12H2,1-4H3
InChIKeyPWMHZIKPJJMHGM-UHFFFAOYSA-N
XLogP3.96
TPSA44.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.59
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine (CID 54765297) is 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine is CCCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)nc(C)nc2s1.
What is the InChIKey of 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine?
The InChIKey is PWMHZIKPJJMHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5S2/c1-5-6-14-11-15-16(21-13(2)22-17(15)25-14)23-7-9-24(10-8-23)18-20-12-19(3,4)26-18/h11H,5-10,12H2,1-4H3.
What are the key properties of 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine?
4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine has a molecular weight of 389.59 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 54765297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).