N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline

C17H23N3S — CID 60943708

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline
SMILESCc1nc(C(C)Nc2cccc(N3CCCC3)c2)c(C)s1
InChIInChI=1S/C17H23N3S/c1-12(17-13(2)21-14(3)19-17)18-15-7-6-8-16(11-15)20-9-4-5-10-20/h6-8,11-12,18H,4-5,9-10H2,1-3H3
InChIKeyCZNZWWNRTTYWHI-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.53
Rot. Bonds4

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline (PubChem CID 60943708) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline
PubChem CID60943708
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline
SMILESCc1nc(C(C)Nc2cccc(N3CCCC3)c2)c(C)s1
InChIInChI=1S/C17H23N3S/c1-12(17-13(2)21-14(3)19-17)18-15-7-6-8-16(11-15)20-9-4-5-10-20/h6-8,11-12,18H,4-5,9-10H2,1-3H3
InChIKeyCZNZWWNRTTYWHI-UHFFFAOYSA-N
XLogP4.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline
CID 43100230
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethynylaniline
CID 43200554
N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 54863773
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 106757576
N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline
CID 62632471
2-[1-(3-pyrrolidin-1-ylanilino)ethyl]phenol
CID 60943568
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 60942943
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide
CID 43725374
N-[1-(3-bromothiophen-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 60943943
N-pentan-3-yl-3-pyrrolidin-1-ylaniline
CID 54864371
4-bromo-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylaniline
CID 107571938
2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43201329

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline (CID 60943708) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline is Cc1nc(C(C)Nc2cccc(N3CCCC3)c2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline?
The InChIKey is CZNZWWNRTTYWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-12(17-13(2)21-14(3)19-17)18-15-7-6-8-16(11-15)20-9-4-5-10-20/h6-8,11-12,18H,4-5,9-10H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline has a molecular weight of 301.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline is sourced from PubChem (CID 60943708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).