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

C13H23N3S — CID 62767600

IUPAC5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CC2)sc1CNC(C)(C)C
InChIInChI=1S/C13H23N3S/c1-9-11(8-14-13(2,3)4)17-12(15-9)16(5)10-6-7-10/h10,14H,6-8H2,1-5H3
InChIKeyXWWOEPVPZJHDSG-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.94
Rot. Bonds4

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

5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 62767600) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID62767600
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CC2)sc1CNC(C)(C)C
InChIInChI=1S/C13H23N3S/c1-9-11(8-14-13(2,3)4)17-12(15-9)16(5)10-6-7-10/h10,14H,6-8H2,1-5H3
InChIKeyXWWOEPVPZJHDSG-UHFFFAOYSA-N
XLogP2.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.94
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-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine (CID 62767600) is 5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine is Cc1nc(N(C)C2CC2)sc1CNC(C)(C)C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is XWWOEPVPZJHDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9-11(8-14-13(2,3)4)17-12(15-9)16(5)10-6-7-10/h10,14H,6-8H2,1-5H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.94, 4 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-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62767600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).