N-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine

C20H24N6S — CID 163349475

IUPACN-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCCNc1ccnc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)n1
InChIInChI=1S/C20H24N6S/c1-2-21-18-8-9-22-20(24-18)26-12-10-25(11-13-26)14-17-15-27-19(23-17)16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3,(H,21,22,24)
InChIKeyQWKKZADDPWPXQN-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.35
Rot. Bonds6

About N-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine

N-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine (PubChem CID 163349475) has the molecular formula C20H24N6S and a molecular weight of 380.52 g/mol. Its IUPAC name is N-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
PubChem CID163349475
Molecular FormulaC20H24N6S
Molecular Weight380.52 g/mol
Exact Mass380.18
IUPAC NameN-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCCNc1ccnc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)n1
InChIInChI=1S/C20H24N6S/c1-2-21-18-8-9-22-20(24-18)26-12-10-25(11-13-26)14-17-15-27-19(23-17)16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3,(H,21,22,24)
InChIKeyQWKKZADDPWPXQN-UHFFFAOYSA-N
XLogP3.35
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 163346622
4-[[4-(2-ethylphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809613
2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 60501855
2-(2-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6467633
4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 24628231
2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine
CID 166604798
2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 9346990
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 4826311
4-[[4-(2-ethoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809646
N-benzyl-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 54582423
2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6470537
2-ethyl-5-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 30411659

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine (CID 163349475) is N-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine is CCNc1ccnc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)n1.
What is the InChIKey of N-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is QWKKZADDPWPXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6S/c1-2-21-18-8-9-22-20(24-18)26-12-10-25(11-13-26)14-17-15-27-19(23-17)16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3,(H,21,22,24).
What are the key properties of N-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
N-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 380.52 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 163349475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).