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

C13H25N3OS — CID 81068229

IUPACN-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCOCCN(C)c1nc(C)c(CNC(C)C)s1
InChIInChI=1S/C13H25N3OS/c1-6-17-8-7-16(5)13-15-11(4)12(18-13)9-14-10(2)3/h10,14H,6-9H2,1-5H3
InChIKeySRFTYDUUPBIMGC-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.42
Rot. Bonds8

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

N-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 81068229) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID81068229
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCOCCN(C)c1nc(C)c(CNC(C)C)s1
InChIInChI=1S/C13H25N3OS/c1-6-17-8-7-16(5)13-15-11(4)12(18-13)9-14-10(2)3/h10,14H,6-9H2,1-5H3
InChIKeySRFTYDUUPBIMGC-UHFFFAOYSA-N
XLogP2.42
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 81067220
N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
CID 63208807
N,4-dimethyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81067225
N,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768335
N,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
CID 62766864
N-(2-methoxyethyl)-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 82965903
5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 81064680
N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 81067888
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81067668
N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63706345
4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 81064681
N-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62764340

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 81068229) is N-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is CCOCCN(C)c1nc(C)c(CNC(C)C)s1.
What is the InChIKey of N-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is SRFTYDUUPBIMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-6-17-8-7-16(5)13-15-11(4)12(18-13)9-14-10(2)3/h10,14H,6-9H2,1-5H3.
What are the key properties of N-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
N-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 271.43 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 81068229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).