N-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide

C18H17Cl2N5OS — CID 2808491

IUPACN-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1csc2c(N3CCN(C(=O)Nc4ccc(Cl)c(Cl)c4)CC3)ncnc12
InChIInChI=1S/C18H17Cl2N5OS/c1-11-9-27-16-15(11)21-10-22-17(16)24-4-6-25(7-5-24)18(26)23-12-2-3-13(19)14(20)8-12/h2-3,8-10H,4-7H2,1H3,(H,23,26)
InChIKeyQLSJUHRQBOMTKV-UHFFFAOYSA-N
MW422.34 g/mol
LogP4.66
Rot. Bonds2

About N-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide

N-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 2808491) has the molecular formula C18H17Cl2N5OS and a molecular weight of 422.34 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID2808491
Molecular FormulaC18H17Cl2N5OS
Molecular Weight422.34 g/mol
Exact Mass421.05
IUPAC NameN-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1csc2c(N3CCN(C(=O)Nc4ccc(Cl)c(Cl)c4)CC3)ncnc12
InChIInChI=1S/C18H17Cl2N5OS/c1-11-9-27-16-15(11)21-10-22-17(16)24-4-6-25(7-5-24)18(26)23-12-2-3-13(19)14(20)8-12/h2-3,8-10H,4-7H2,1H3,(H,23,26)
InChIKeyQLSJUHRQBOMTKV-UHFFFAOYSA-N
XLogP4.66
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 17171501
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N-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 126794223
N-(3-chloro-4-methylsulfanylphenyl)-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 166233536
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N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
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2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 102687009
N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]benzamide
CID 172898892
N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
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4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide
CID 35757392
N-(2,3-dihydro-1H-inden-5-yl)-4-thieno[3,2-d]pyrimidin-4-ylpiperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide (CID 2808491) is N-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide is Cc1csc2c(N3CCN(C(=O)Nc4ccc(Cl)c(Cl)c4)CC3)ncnc12.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is QLSJUHRQBOMTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5OS/c1-11-9-27-16-15(11)21-10-22-17(16)24-4-6-25(7-5-24)18(26)23-12-2-3-13(19)14(20)8-12/h2-3,8-10H,4-7H2,1H3,(H,23,26).
What are the key properties of N-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide?
N-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 422.34 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 2808491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).