5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine

C16H29N3OS — CID 62768551

IUPAC5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1nc(N(C)CC2CCCCO2)sc1CNC(C)(C)C
InChIInChI=1S/C16H29N3OS/c1-12-14(10-17-16(2,3)4)21-15(18-12)19(5)11-13-8-6-7-9-20-13/h13,17H,6-11H2,1-5H3
InChIKeyHRSXSUQRUMQKHP-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.34
Rot. Bonds5

About 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine

5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 62768551) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID62768551
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1nc(N(C)CC2CCCCO2)sc1CNC(C)(C)C
InChIInChI=1S/C16H29N3OS/c1-12-14(10-17-16(2,3)4)21-15(18-12)19(5)11-13-8-6-7-9-20-13/h13,17H,6-11H2,1-5H3
InChIKeyHRSXSUQRUMQKHP-UHFFFAOYSA-N
XLogP3.34
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62768405
5-[(tert-butylamino)methyl]-N-cyclohexyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62763955
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767600
2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 63059546
N-methyl-5-(methylaminomethyl)-N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392795
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 62768606
N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62754771
N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63706345
4-chloro-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687155
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 80631769
[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62753863
2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62752046

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine (CID 62768551) is 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine is Cc1nc(N(C)CC2CCCCO2)sc1CNC(C)(C)C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is HRSXSUQRUMQKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-12-14(10-17-16(2,3)4)21-15(18-12)19(5)11-13-8-6-7-9-20-13/h13,17H,6-11H2,1-5H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 311.50 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).