N-[(4-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]cyclopropanamine

C17H22N2OS — CID 61334863

IUPACN-[(4-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]cyclopropanamine
SMILESCc1csc(C(NC2CC2)c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C17H22N2OS/c1-11(2)20-15-6-4-5-13(9-15)16(19-14-7-8-14)17-18-12(3)10-21-17/h4-6,9-11,14,16,19H,7-8H2,1-3H3
InChIKeyQBDNDDBPNYBFRY-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.08
Rot. Bonds6

About N-[(4-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]cyclopropanamine

N-[(4-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]cyclopropanamine (PubChem CID 61334863) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]cyclopropanamine
PubChem CID61334863
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]cyclopropanamine
SMILESCc1csc(C(NC2CC2)c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C17H22N2OS/c1-11(2)20-15-6-4-5-13(9-15)16(19-14-7-8-14)17-18-12(3)10-21-17/h4-6,9-11,14,16,19H,7-8H2,1-3H3
InChIKeyQBDNDDBPNYBFRY-UHFFFAOYSA-N
XLogP4.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 106531783
N-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61333244
N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 114859222
1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 86989123
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770268
N-[[3-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115527578
1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61332500
N-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 66116491
N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61335045
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770608
N-[3-(3-propan-2-yloxyphenyl)butyl]cyclopropanamine
CID 81019891
2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210573

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]cyclopropanamine (CID 61334863) is N-[(4-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]cyclopropanamine is Cc1csc(C(NC2CC2)c2cccc(OC(C)C)c2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]cyclopropanamine?
The InChIKey is QBDNDDBPNYBFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-11(2)20-15-6-4-5-13(9-15)16(19-14-7-8-14)17-18-12(3)10-21-17/h4-6,9-11,14,16,19H,7-8H2,1-3H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]cyclopropanamine?
N-[(4-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]cyclopropanamine has a molecular weight of 302.44 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 61334863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).