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

C14H25N3S — CID 55112108

IUPAC5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCC(C1CC1)N(C)c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C14H25N3S/c1-10(11-6-7-11)17(5)13-15-8-12(18-13)9-16-14(2,3)4/h8,10-11,16H,6-7,9H2,1-5H3
InChIKeyKPBMWOOWEINBGJ-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.27
Rot. Bonds5

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

5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 55112108) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID55112108
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCC(C1CC1)N(C)c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C14H25N3S/c1-10(11-6-7-11)17(5)13-15-8-12(18-13)9-16-14(2,3)4/h8,10-11,16H,6-7,9H2,1-5H3
InChIKeyKPBMWOOWEINBGJ-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.27
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-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine (CID 55112108) is 5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine is CC(C1CC1)N(C)c1ncc(CNC(C)(C)C)s1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is KPBMWOOWEINBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10(11-6-7-11)17(5)13-15-8-12(18-13)9-16-14(2,3)4/h8,10-11,16H,6-7,9H2,1-5H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.27, 5 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-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 55112108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).