N,4-dimethyl-N-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine

C14H25N3OS — CID 55117280

IUPACN,4-dimethyl-N-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)CC2CCCO2)sc1CNC(C)C
InChIInChI=1S/C14H25N3OS/c1-10(2)15-8-13-11(3)16-14(19-13)17(4)9-12-6-5-7-18-12/h10,12,15H,5-9H2,1-4H3
InChIKeyPXIRUXQYAYZCJX-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.56
Rot. Bonds6

About N,4-dimethyl-N-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine

N,4-dimethyl-N-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 55117280) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N,4-dimethyl-N-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID55117280
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN,4-dimethyl-N-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)CC2CCCO2)sc1CNC(C)C
InChIInChI=1S/C14H25N3OS/c1-10(2)15-8-13-11(3)16-14(19-13)17(4)9-12-6-5-7-18-12/h10,12,15H,5-9H2,1-4H3
InChIKeyPXIRUXQYAYZCJX-UHFFFAOYSA-N
XLogP2.56
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-N-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 55117280) is N,4-dimethyl-N-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-N-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-N-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is Cc1nc(N(C)CC2CCCO2)sc1CNC(C)C.
What is the InChIKey of N,4-dimethyl-N-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is PXIRUXQYAYZCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-10(2)15-8-13-11(3)16-14(19-13)17(4)9-12-6-5-7-18-12/h10,12,15H,5-9H2,1-4H3.
What are the key properties of N,4-dimethyl-N-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
N,4-dimethyl-N-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 283.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 55117280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).