5-(2-cyclohexyloxy-5-methylpyrimidin-4-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

C24H31N7OS — CID 59295145

IUPAC5-(2-cyclohexyloxy-5-methylpyrimidin-4-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1cnc(OC2CCCCC2)nc1-c1cnc(Nc2ccc(N3CCN(C)CC3)cn2)s1
InChIInChI=1S/C24H31N7OS/c1-17-14-26-23(32-19-6-4-3-5-7-19)29-22(17)20-16-27-24(33-20)28-21-9-8-18(15-25-21)31-12-10-30(2)11-13-31/h8-9,14-16,19H,3-7,10-13H2,1-2H3,(H,25,27,28)
InChIKeyKIHYIROTCLEDNS-UHFFFAOYSA-N
MW465.63 g/mol
LogP4.51
Rot. Bonds6

About 5-(2-cyclohexyloxy-5-methylpyrimidin-4-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

5-(2-cyclohexyloxy-5-methylpyrimidin-4-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 59295145) has the molecular formula C24H31N7OS and a molecular weight of 465.63 g/mol. Its IUPAC name is 5-(2-cyclohexyloxy-5-methylpyrimidin-4-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-cyclohexyloxy-5-methylpyrimidin-4-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID59295145
Molecular FormulaC24H31N7OS
Molecular Weight465.63 g/mol
Exact Mass465.23
IUPAC Name5-(2-cyclohexyloxy-5-methylpyrimidin-4-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1cnc(OC2CCCCC2)nc1-c1cnc(Nc2ccc(N3CCN(C)CC3)cn2)s1
InChIInChI=1S/C24H31N7OS/c1-17-14-26-23(32-19-6-4-3-5-7-19)29-22(17)20-16-27-24(33-20)28-21-9-8-18(15-25-21)31-12-10-30(2)11-13-31/h8-9,14-16,19H,3-7,10-13H2,1-2H3,(H,25,27,28)
InChIKeyKIHYIROTCLEDNS-UHFFFAOYSA-N
XLogP4.51
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.63
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexyloxy-5-methylpyrimidin-4-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-cyclohexyloxy-5-methylpyrimidin-4-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 59295145) is 5-(2-cyclohexyloxy-5-methylpyrimidin-4-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-cyclohexyloxy-5-methylpyrimidin-4-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-cyclohexyloxy-5-methylpyrimidin-4-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is Cc1cnc(OC2CCCCC2)nc1-c1cnc(Nc2ccc(N3CCN(C)CC3)cn2)s1.
What is the InChIKey of 5-(2-cyclohexyloxy-5-methylpyrimidin-4-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is KIHYIROTCLEDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7OS/c1-17-14-26-23(32-19-6-4-3-5-7-19)29-22(17)20-16-27-24(33-20)28-21-9-8-18(15-25-21)31-12-10-30(2)11-13-31/h8-9,14-16,19H,3-7,10-13H2,1-2H3,(H,25,27,28).
What are the key properties of 5-(2-cyclohexyloxy-5-methylpyrimidin-4-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
5-(2-cyclohexyloxy-5-methylpyrimidin-4-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 465.63 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexyloxy-5-methylpyrimidin-4-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 59295145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).