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

C19H27N5S2 — CID 54765299

IUPAC6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCCCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1
InChIInChI=1S/C19H27N5S2/c1-4-5-6-14-11-15-16(21-13-22-17(15)25-14)23-7-9-24(10-8-23)18-20-12-19(2,3)26-18/h11,13H,4-10,12H2,1-3H3
InChIKeyDGHMWFXLUQFCNT-UHFFFAOYSA-N
MW389.59 g/mol
LogP4.04
Rot. Bonds4

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

6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 54765299) has the molecular formula C19H27N5S2 and a molecular weight of 389.59 g/mol. Its IUPAC name is 6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID54765299
Molecular FormulaC19H27N5S2
Molecular Weight389.59 g/mol
Exact Mass389.17
IUPAC Name6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCCCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1
InChIInChI=1S/C19H27N5S2/c1-4-5-6-14-11-15-16(21-13-22-17(15)25-14)23-7-9-24(10-8-23)18-20-12-19(2,3)26-18/h11,13H,4-10,12H2,1-3H3
InChIKeyDGHMWFXLUQFCNT-UHFFFAOYSA-N
XLogP4.04
TPSA44.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.59
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
CID 54765302
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 72201086
4-{4-[5-(Difluoromethyl)-1,3,4-Thiadiazol-2-Yl]piperazin-1-Yl}-6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidine
CID 86297462
6-(2,2,2-Trifluoroethyl)-4-{4-[5-(Trifluoromethyl)-1,3,4-Thiadiazol-2-Yl]piperazin-1-Yl}thieno[2,3-D]pyrimidine
CID 86297465
4-[4-(5-Methyl-1,3,4-Thiadiazol-2-Yl)piperazin-1-Yl]-6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidine
CID 90453086
4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]-6-(Pentafluoroethyl)thieno[2,3-D]pyrimidine
CID 90453135
6-Methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 3157193
N-[3-(diethylamino)propyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 1608673
N-benzylthieno[2,3-d]pyrimidin-4-amine
CID 2139597
4-Benzylsulfanylthieno[2,3-d]pyrimidine
CID 710987
4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]-6-(2-Fluoroethyl)thieno[2,3-D]pyrimidine
CID 91864570

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 54765299) is 6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is CCCCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1.
What is the InChIKey of 6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is DGHMWFXLUQFCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5S2/c1-4-5-6-14-11-15-16(21-13-22-17(15)25-14)23-7-9-24(10-8-23)18-20-12-19(2,3)26-18/h11,13H,4-10,12H2,1-3H3.
What are the key properties of 6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 389.59 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 54765299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).