4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine

C24H25N7S — CID 141131245

IUPAC4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccccc2)sc1-c1ccnc(Nc2ccc(N3CCNCC3)cc2)n1
InChIInChI=1S/C24H25N7S/c1-17-22(32-24(27-17)29-18-5-3-2-4-6-18)21-11-12-26-23(30-21)28-19-7-9-20(10-8-19)31-15-13-25-14-16-31/h2-12,25H,13-16H2,1H3,(H,27,29)(H,26,28,30)
InChIKeyWIEACCDZDNHKKM-UHFFFAOYSA-N
MW443.58 g/mol
LogP4.81
Rot. Bonds6

About 4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine

4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 141131245) has the molecular formula C24H25N7S and a molecular weight of 443.58 g/mol. Its IUPAC name is 4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID141131245
Molecular FormulaC24H25N7S
Molecular Weight443.58 g/mol
Exact Mass443.19
IUPAC Name4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccccc2)sc1-c1ccnc(Nc2ccc(N3CCNCC3)cc2)n1
InChIInChI=1S/C24H25N7S/c1-17-22(32-24(27-17)29-18-5-3-2-4-6-18)21-11-12-26-23(30-21)28-19-7-9-20(10-8-19)31-15-13-25-14-16-31/h2-12,25H,13-16H2,1H3,(H,27,29)(H,26,28,30)
InChIKeyWIEACCDZDNHKKM-UHFFFAOYSA-N
XLogP4.81
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.58
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 10090332
N-ethyl-4-methyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 24752189
4-methyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 11540100
N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 82513989
N,N,4-trimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126559115
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 11717857
2,4-bis[4-[4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]pentan-3-one
CID 174512390
4-methyl-N-phenyl-5-pyrimidin-4-yl-1,3-thiazol-2-amine
CID 141131243
2-(4-piperazin-1-ylanilino)pyrimidine-4-carboxamide
CID 69247814
1-[4-[4-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 68937841
2-[4-[4-[[4-[4-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]propanal
CID 175251018
3-[[4-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol
CID 87954429

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 141131245) is 4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(Nc2ccccc2)sc1-c1ccnc(Nc2ccc(N3CCNCC3)cc2)n1.
What is the InChIKey of 4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is WIEACCDZDNHKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7S/c1-17-22(32-24(27-17)29-18-5-3-2-4-6-18)21-11-12-26-23(30-21)28-19-7-9-20(10-8-19)31-15-13-25-14-16-31/h2-12,25H,13-16H2,1H3,(H,27,29)(H,26,28,30).
What are the key properties of 4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 443.58 g/mol, XLogP of 4.81, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 141131245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).