N-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

C14H19N7OS — CID 51084882

IUPACN-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(NCCNc1ncccn1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H19N7OS/c22-13(18-5-4-17-12-15-2-1-3-16-12)20-7-9-21(10-8-20)14-19-6-11-23-14/h1-3,6,11H,4-5,7-10H2,(H,18,22)(H,15,16,17)
InChIKeyAPRAWQGOHSVFGZ-UHFFFAOYSA-N
MW333.42 g/mol
LogP0.88
Rot. Bonds5

About N-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

N-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 51084882) has the molecular formula C14H19N7OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID51084882
Molecular FormulaC14H19N7OS
Molecular Weight333.42 g/mol
Exact Mass333.14
IUPAC NameN-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(NCCNc1ncccn1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H19N7OS/c22-13(18-5-4-17-12-15-2-1-3-16-12)20-7-9-21(10-8-20)14-19-6-11-23-14/h1-3,6,11H,4-5,7-10H2,(H,18,22)(H,15,16,17)
InChIKeyAPRAWQGOHSVFGZ-UHFFFAOYSA-N
XLogP0.88
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 51084882) is N-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(NCCNc1ncccn1)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is APRAWQGOHSVFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7OS/c22-13(18-5-4-17-12-15-2-1-3-16-12)20-7-9-21(10-8-20)14-19-6-11-23-14/h1-3,6,11H,4-5,7-10H2,(H,18,22)(H,15,16,17).
What are the key properties of N-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 51084882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).