N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine

C17H22N6S2 — CID 72931211

IUPACN-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCc1nnc(CCNC2CCN(c3ncnc4c(C)csc34)CC2)s1
InChIInChI=1S/C17H22N6S2/c1-11-9-24-16-15(11)19-10-20-17(16)23-7-4-13(5-8-23)18-6-3-14-22-21-12(2)25-14/h9-10,13,18H,3-8H2,1-2H3
InChIKeyAZPWNTOJNBPETR-UHFFFAOYSA-N
MW374.54 g/mol
LogP2.96
Rot. Bonds5

About N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine

N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine (PubChem CID 72931211) has the molecular formula C17H22N6S2 and a molecular weight of 374.54 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
PubChem CID72931211
Molecular FormulaC17H22N6S2
Molecular Weight374.54 g/mol
Exact Mass374.13
IUPAC NameN-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCc1nnc(CCNC2CCN(c3ncnc4c(C)csc34)CC2)s1
InChIInChI=1S/C17H22N6S2/c1-11-9-24-16-15(11)19-10-20-17(16)23-7-4-13(5-8-23)18-6-3-14-22-21-12(2)25-14/h9-10,13,18H,3-8H2,1-2H3
InChIKeyAZPWNTOJNBPETR-UHFFFAOYSA-N
XLogP2.96
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.54
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]propyl]benzonitrile
CID 156539085
N-[3-(3-chlorophenyl)propyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
CID 156555049
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 102687010
N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]benzamide
CID 172898892
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 156539132
1-(2-methyl-5-propylpyrimidin-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidin-4-amine
CID 72853172
3-(2-methylphenyl)-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide
CID 156555013
4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine
CID 23381410
N-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-amine
CID 172894816
N-cyclopentyl-2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
CID 171994481
2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine
CID 102687385
7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine
CID 102686848

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine (CID 72931211) is N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine is Cc1nnc(CCNC2CCN(c3ncnc4c(C)csc34)CC2)s1.
What is the InChIKey of N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
The InChIKey is AZPWNTOJNBPETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6S2/c1-11-9-24-16-15(11)19-10-20-17(16)23-7-4-13(5-8-23)18-6-3-14-22-21-12(2)25-14/h9-10,13,18H,3-8H2,1-2H3.
What are the key properties of N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine has a molecular weight of 374.54 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 72931211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).