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

C23H30N8S — CID 135286395

IUPACN-cyclopentyl-5-[2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(N3CCCNCC3)cn2)n1
InChIInChI=1S/C23H30N8S/c1-16-21(32-23(27-16)28-17-5-2-3-6-17)19-9-11-25-22(29-19)30-20-8-7-18(15-26-20)31-13-4-10-24-12-14-31/h7-9,11,15,17,24H,2-6,10,12-14H2,1H3,(H,27,28)(H,25,26,29,30)
InChIKeyLICJOAWXMPKZSX-UHFFFAOYSA-N
MW450.62 g/mol
LogP4.20
Rot. Bonds6

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

N-cyclopentyl-5-[2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 135286395) has the molecular formula C23H30N8S and a molecular weight of 450.62 g/mol. Its IUPAC name is N-cyclopentyl-5-[2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-[2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID135286395
Molecular FormulaC23H30N8S
Molecular Weight450.62 g/mol
Exact Mass450.23
IUPAC NameN-cyclopentyl-5-[2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(N3CCCNCC3)cn2)n1
InChIInChI=1S/C23H30N8S/c1-16-21(32-23(27-16)28-17-5-2-3-6-17)19-9-11-25-22(29-19)30-20-8-7-18(15-26-20)31-13-4-10-24-12-14-31/h7-9,11,15,17,24H,2-6,10,12-14H2,1H3,(H,27,28)(H,25,26,29,30)
InChIKeyLICJOAWXMPKZSX-UHFFFAOYSA-N
XLogP4.20
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.62
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopentyl-5-[2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine (CID 135286395) is N-cyclopentyl-5-[2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-5-[2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopentyl-5-[2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(N3CCCNCC3)cn2)n1.
What is the InChIKey of N-cyclopentyl-5-[2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is LICJOAWXMPKZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8S/c1-16-21(32-23(27-16)28-17-5-2-3-6-17)19-9-11-25-22(29-19)30-20-8-7-18(15-26-20)31-13-4-10-24-12-14-31/h7-9,11,15,17,24H,2-6,10,12-14H2,1H3,(H,27,28)(H,25,26,29,30).
What are the key properties of N-cyclopentyl-5-[2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
N-cyclopentyl-5-[2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 450.62 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 135286395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).