N-(6-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine

C16H17N7S — CID 15979261

IUPACN-(6-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine
SMILESc1cc(Nc2ncc(-c3cncnc3)s2)nc(N2CCNCC2)c1
InChIInChI=1S/C16H17N7S/c1-2-14(21-15(3-1)23-6-4-17-5-7-23)22-16-20-10-13(24-16)12-8-18-11-19-9-12/h1-3,8-11,17H,4-7H2,(H,20,21,22)
InChIKeyUOSJYZIEZUKMHD-UHFFFAOYSA-N
MW339.43 g/mol
LogP2.15
Rot. Bonds4

About N-(6-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine

N-(6-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine (PubChem CID 15979261) has the molecular formula C16H17N7S and a molecular weight of 339.43 g/mol. Its IUPAC name is N-(6-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine
PubChem CID15979261
Molecular FormulaC16H17N7S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC NameN-(6-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine
SMILESc1cc(Nc2ncc(-c3cncnc3)s2)nc(N2CCNCC2)c1
InChIInChI=1S/C16H17N7S/c1-2-14(21-15(3-1)23-6-4-17-5-7-23)22-16-20-10-13(24-16)12-8-18-11-19-9-12/h1-3,8-11,17H,4-7H2,(H,20,21,22)
InChIKeyUOSJYZIEZUKMHD-UHFFFAOYSA-N
XLogP2.15
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Ulecaciclib
CID 126535127
N-(1,3-Thiazol-2-yl)pyridin-2-amine 1
CID 5329323
5-phenyl-N-[5-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
CID 5329324
5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
CID 5329325
N-(1,3-Thiazol-2-yl)pyridin-2-amine 16
CID 5329329
N-(1,3-Thiazol-2-yl)pyridin-2-amine 18
CID 5329331
N-(1,3-Thiazol-2-yl)pyridin-2-amine 19
CID 5329332
4-(2-(5-Cyanothiazol-2-ylamino)pyridin-4-ylmethyl)piperazine-1-carboxylic acid methylamide
CID 5329333
Aminothiazole 5
CID 5329387
Aminothiazole 6
CID 5329388
[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-yl]-(4-piperazin-1-yl-phenyl)-amine
CID 10022738
[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 10091185

Frequently Asked Questions

What is the IUPAC name of N-(6-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(6-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine (CID 15979261) is N-(6-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine is c1cc(Nc2ncc(-c3cncnc3)s2)nc(N2CCNCC2)c1.
What is the InChIKey of N-(6-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine?
The InChIKey is UOSJYZIEZUKMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7S/c1-2-14(21-15(3-1)23-6-4-17-5-7-23)22-16-20-10-13(24-16)12-8-18-11-19-9-12/h1-3,8-11,17H,4-7H2,(H,20,21,22).
What are the key properties of N-(6-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine?
N-(6-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine has a molecular weight of 339.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 15979261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).