N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine

C14H25N3S — CID 82439344

IUPACN-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCN(C)Cc1nc(C(C)(C)C)c(CNC2CC2)s1
InChIInChI=1S/C14H25N3S/c1-14(2,3)13-11(8-15-10-6-7-10)18-12(16-13)9-17(4)5/h10,15H,6-9H2,1-5H3
InChIKeyIDCAUDGHHXYFQU-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.75
Rot. Bonds5

About N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 82439344) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID82439344
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCN(C)Cc1nc(C(C)(C)C)c(CNC2CC2)s1
InChIInChI=1S/C14H25N3S/c1-14(2,3)13-11(8-15-10-6-7-10)18-12(16-13)9-17(4)5/h10,15H,6-9H2,1-5H3
InChIKeyIDCAUDGHHXYFQU-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 82439344) is N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine is CN(C)Cc1nc(C(C)(C)C)c(CNC2CC2)s1.
What is the InChIKey of N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is IDCAUDGHHXYFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-14(2,3)13-11(8-15-10-6-7-10)18-12(16-13)9-17(4)5/h10,15H,6-9H2,1-5H3.
What are the key properties of N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 267.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82439344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).