N-cyclopentyl-N,4-dimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine

C23H30N8S — CID 126535129

IUPACN-cyclopentyl-N,4-dimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CCCC2)sc1-c1ccnc(Nc2ccc(N3CCNCC3)cn2)n1
InChIInChI=1S/C23H30N8S/c1-16-21(32-23(27-16)30(2)17-5-3-4-6-17)19-9-10-25-22(28-19)29-20-8-7-18(15-26-20)31-13-11-24-12-14-31/h7-10,15,17,24H,3-6,11-14H2,1-2H3,(H,25,26,28,29)
InChIKeyVSTBDMYJXAWENH-UHFFFAOYSA-N
MW450.62 g/mol
LogP3.84
Rot. Bonds6

About N-cyclopentyl-N,4-dimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine

N-cyclopentyl-N,4-dimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 126535129) has the molecular formula C23H30N8S and a molecular weight of 450.62 g/mol. Its IUPAC name is N-cyclopentyl-N,4-dimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-N,4-dimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID126535129
Molecular FormulaC23H30N8S
Molecular Weight450.62 g/mol
Exact Mass450.23
IUPAC NameN-cyclopentyl-N,4-dimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CCCC2)sc1-c1ccnc(Nc2ccc(N3CCNCC3)cn2)n1
InChIInChI=1S/C23H30N8S/c1-16-21(32-23(27-16)30(2)17-5-3-4-6-17)19-9-10-25-22(28-19)29-20-8-7-18(15-26-20)31-13-11-24-12-14-31/h7-10,15,17,24H,3-6,11-14H2,1-2H3,(H,25,26,28,29)
InChIKeyVSTBDMYJXAWENH-UHFFFAOYSA-N
XLogP3.84
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.62
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N,4-dimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopentyl-N,4-dimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 126535129) is N-cyclopentyl-N,4-dimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-N,4-dimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopentyl-N,4-dimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(N(C)C2CCCC2)sc1-c1ccnc(Nc2ccc(N3CCNCC3)cn2)n1.
What is the InChIKey of N-cyclopentyl-N,4-dimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is VSTBDMYJXAWENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8S/c1-16-21(32-23(27-16)30(2)17-5-3-4-6-17)19-9-10-25-22(28-19)29-20-8-7-18(15-26-20)31-13-11-24-12-14-31/h7-10,15,17,24H,3-6,11-14H2,1-2H3,(H,25,26,28,29).
What are the key properties of N-cyclopentyl-N,4-dimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
N-cyclopentyl-N,4-dimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 450.62 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N,4-dimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 126535129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).