N-[[5,6-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine

C18H24N6S2 — CID 118883278

IUPACN-[[5,6-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine
SMILESCCNCc1nc(N2CCN(c3nccs3)CC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C18H24N6S2/c1-4-19-11-14-21-16(15-12(2)13(3)26-17(15)22-14)23-6-8-24(9-7-23)18-20-5-10-25-18/h5,10,19H,4,6-9,11H2,1-3H3
InChIKeyKCSNDTRPLAZFQZ-UHFFFAOYSA-N
MW388.57 g/mol
LogP3.20
Rot. Bonds5

About N-[[5,6-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine

N-[[5,6-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine (PubChem CID 118883278) has the molecular formula C18H24N6S2 and a molecular weight of 388.57 g/mol. Its IUPAC name is N-[[5,6-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5,6-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine
PubChem CID118883278
Molecular FormulaC18H24N6S2
Molecular Weight388.57 g/mol
Exact Mass388.15
IUPAC NameN-[[5,6-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine
SMILESCCNCc1nc(N2CCN(c3nccs3)CC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C18H24N6S2/c1-4-19-11-14-21-16(15-12(2)13(3)26-17(15)22-14)23-6-8-24(9-7-23)18-20-5-10-25-18/h5,10,19H,4,6-9,11H2,1-3H3
InChIKeyKCSNDTRPLAZFQZ-UHFFFAOYSA-N
XLogP3.20
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.57
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-ethyl-5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 80976129
N-tert-butyl-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 42799970
N-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 105072687
N-[[5,6-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methyl]-N-ethylethanamine
CID 9311061
N-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 42799978
2-chloro-1-[4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 42799781
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 133274015
2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 4083738
5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-4-(4-thiophen-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 167753965
4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol
CID 9279549
1-[4-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 166184213
(S)-[1-[2-(2-aminoethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 95144700

Frequently Asked Questions

What is the IUPAC name of N-[[5,6-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5,6-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine (CID 118883278) is N-[[5,6-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5,6-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5,6-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine is CCNCc1nc(N2CCN(c3nccs3)CC2)c2c(C)c(C)sc2n1.
What is the InChIKey of N-[[5,6-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine?
The InChIKey is KCSNDTRPLAZFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6S2/c1-4-19-11-14-21-16(15-12(2)13(3)26-17(15)22-14)23-6-8-24(9-7-23)18-20-5-10-25-18/h5,10,19H,4,6-9,11H2,1-3H3.
What are the key properties of N-[[5,6-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine?
N-[[5,6-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine has a molecular weight of 388.57 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5,6-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 118883278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).