N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]azetidin-3-amine

C10H17N3S — CID 130763267

IUPACN-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]azetidin-3-amine
SMILESCc1cnc(C(C)(C)NC2CNC2)s1
InChIInChI=1S/C10H17N3S/c1-7-4-12-9(14-7)10(2,3)13-8-5-11-6-8/h4,8,11,13H,5-6H2,1-3H3
InChIKeyVNNNVDOZLHPNQX-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.25
Rot. Bonds3

About N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]azetidin-3-amine

N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]azetidin-3-amine (PubChem CID 130763267) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]azetidin-3-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]azetidin-3-amine
PubChem CID130763267
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]azetidin-3-amine
SMILESCc1cnc(C(C)(C)NC2CNC2)s1
InChIInChI=1S/C10H17N3S/c1-7-4-12-9(14-7)10(2,3)13-8-5-11-6-8/h4,8,11,13H,5-6H2,1-3H3
InChIKeyVNNNVDOZLHPNQX-UHFFFAOYSA-N
XLogP1.25
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]azetidin-3-amine?
The IUPAC name of N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]azetidin-3-amine (CID 130763267) is N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]azetidin-3-amine.
What is the SMILES notation for N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]azetidin-3-amine?
The canonical SMILES for N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]azetidin-3-amine is Cc1cnc(C(C)(C)NC2CNC2)s1.
What is the InChIKey of N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]azetidin-3-amine?
The InChIKey is VNNNVDOZLHPNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7-4-12-9(14-7)10(2,3)13-8-5-11-6-8/h4,8,11,13H,5-6H2,1-3H3.
What are the key properties of N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]azetidin-3-amine?
N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]azetidin-3-amine has a molecular weight of 211.33 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]azetidin-3-amine is sourced from PubChem (CID 130763267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).