N-[4-(1-propan-2-ylazetidin-3-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine

C13H17N5S — CID 118739888

IUPACN-[4-(1-propan-2-ylazetidin-3-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine
SMILESCC(C)N1CC(c2ccnc(Nc3nccs3)n2)C1
InChIInChI=1S/C13H17N5S/c1-9(2)18-7-10(8-18)11-3-4-14-12(16-11)17-13-15-5-6-19-13/h3-6,9-10H,7-8H2,1-2H3,(H,14,15,16,17)
InChIKeyVSOQLRBOEPVRRT-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.48
Rot. Bonds4

About N-[4-(1-propan-2-ylazetidin-3-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine

N-[4-(1-propan-2-ylazetidin-3-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine (PubChem CID 118739888) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[4-(1-propan-2-ylazetidin-3-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(1-propan-2-ylazetidin-3-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine
PubChem CID118739888
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC NameN-[4-(1-propan-2-ylazetidin-3-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine
SMILESCC(C)N1CC(c2ccnc(Nc3nccs3)n2)C1
InChIInChI=1S/C13H17N5S/c1-9(2)18-7-10(8-18)11-3-4-14-12(16-11)17-13-15-5-6-19-13/h3-6,9-10H,7-8H2,1-2H3,(H,14,15,16,17)
InChIKeyVSOQLRBOEPVRRT-UHFFFAOYSA-N
XLogP2.48
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-(1-(2-(thiazol-4-yl)ethyl)piperidin-3-yl)pyrimidin-2-amine
CID 44591284
4-(1-amino-3-methylbutyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49786650
N-[(2-Isopropyl-1,3-thiazol-4-YL)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56864914
N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 73439470
N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95842476
4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95842477
4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95842601
1-[3-[2-(1,3-Thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone
CID 118739882
4-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
CID 56866914
6-(cis-3-aminocyclobutyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 91763527
N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride
CID 118741770
N-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 44821405

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-propan-2-ylazetidin-3-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(1-propan-2-ylazetidin-3-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine (CID 118739888) is N-[4-(1-propan-2-ylazetidin-3-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(1-propan-2-ylazetidin-3-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(1-propan-2-ylazetidin-3-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine is CC(C)N1CC(c2ccnc(Nc3nccs3)n2)C1.
What is the InChIKey of N-[4-(1-propan-2-ylazetidin-3-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is VSOQLRBOEPVRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-9(2)18-7-10(8-18)11-3-4-14-12(16-11)17-13-15-5-6-19-13/h3-6,9-10H,7-8H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-[4-(1-propan-2-ylazetidin-3-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine?
N-[4-(1-propan-2-ylazetidin-3-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 275.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-propan-2-ylazetidin-3-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118739888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).