5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine

C17H31N3S — CID 63656947

IUPAC5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CC2CCCC2)sc1CNC(C)(C)C
InChIInChI=1S/C17H31N3S/c1-6-14-15(11-18-17(2,3)4)21-16(19-14)20(5)12-13-9-7-8-10-13/h13,18H,6-12H2,1-5H3
InChIKeyDDRLOPVZSILMRR-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.22
Rot. Bonds6

About 5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine

5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine (PubChem CID 63656947) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
PubChem CID63656947
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CC2CCCC2)sc1CNC(C)(C)C
InChIInChI=1S/C17H31N3S/c1-6-14-15(11-18-17(2,3)4)21-16(19-14)20(5)12-13-9-7-8-10-13/h13,18H,6-12H2,1-5H3
InChIKeyDDRLOPVZSILMRR-UHFFFAOYSA-N
XLogP4.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine (CID 63656947) is 5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine is CCc1nc(N(C)CC2CCCC2)sc1CNC(C)(C)C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine?
The InChIKey is DDRLOPVZSILMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-6-14-15(11-18-17(2,3)4)21-16(19-14)20(5)12-13-9-7-8-10-13/h13,18H,6-12H2,1-5H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63656947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).