N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine

C14H25N3S — CID 106613833

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCN(Cc1nc(C(C)(C)C)cs1)CC1CCCN1
InChIInChI=1S/C14H25N3S/c1-14(2,3)12-10-18-13(16-12)9-17(4)8-11-6-5-7-15-11/h10-11,15H,5-9H2,1-4H3
InChIKeyWIZZTNPCXIRXAD-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.62
Rot. Bonds4

About N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine (PubChem CID 106613833) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
PubChem CID106613833
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCN(Cc1nc(C(C)(C)C)cs1)CC1CCCN1
InChIInChI=1S/C14H25N3S/c1-14(2,3)12-10-18-13(16-12)9-17(4)8-11-6-5-7-15-11/h10-11,15H,5-9H2,1-4H3
InChIKeyWIZZTNPCXIRXAD-UHFFFAOYSA-N
XLogP2.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 103694929
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642060
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 107124551
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 54960004
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603621
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 97164371
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
CID 71641920
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604086
3-methyl-7-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 106613747
1-cyclopentyl-N-methyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 63631590

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine (CID 106613833) is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine is CN(Cc1nc(C(C)(C)C)cs1)CC1CCCN1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine?
The InChIKey is WIZZTNPCXIRXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-14(2,3)12-10-18-13(16-12)9-17(4)8-11-6-5-7-15-11/h10-11,15H,5-9H2,1-4H3.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine?
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine has a molecular weight of 267.44 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 106613833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).