N-[(1S)-1-[4-(methylaminomethyl)-1,3-thiazol-2-yl]ethyl]acetamide

C9H15N3OS — CID 91664550

IUPACN-[(1S)-1-[4-(methylaminomethyl)-1,3-thiazol-2-yl]ethyl]acetamide
SMILESCNCc1csc([C@H](C)NC(C)=O)n1
InChIInChI=1S/C9H15N3OS/c1-6(11-7(2)13)9-12-8(4-10-3)5-14-9/h5-6,10H,4H2,1-3H3,(H,11,13)/t6-/m0/s1
InChIKeyNHYBSCBAFRBZEB-LURJTMIESA-N
MW213.31 g/mol
LogP1.06
Rot. Bonds4

About N-[(1S)-1-[4-(methylaminomethyl)-1,3-thiazol-2-yl]ethyl]acetamide

N-[(1S)-1-[4-(methylaminomethyl)-1,3-thiazol-2-yl]ethyl]acetamide (PubChem CID 91664550) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-[(1S)-1-[4-(methylaminomethyl)-1,3-thiazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(methylaminomethyl)-1,3-thiazol-2-yl]ethyl]acetamide
PubChem CID91664550
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-[(1S)-1-[4-(methylaminomethyl)-1,3-thiazol-2-yl]ethyl]acetamide
SMILESCNCc1csc([C@H](C)NC(C)=O)n1
InChIInChI=1S/C9H15N3OS/c1-6(11-7(2)13)9-12-8(4-10-3)5-14-9/h5-6,10H,4H2,1-3H3,(H,11,13)/t6-/m0/s1
InChIKeyNHYBSCBAFRBZEB-LURJTMIESA-N
XLogP1.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

butanedioic acid;bis(N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine)
CID 11612288
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
2-aminoacetic acid;N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
CID 11637350
2-aminobutanedioic acid;N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
CID 11673884
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
4-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide
CID 126827825
2-methyl-3-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875883
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-4-(methylamino)butanamide
CID 119900109
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119900108

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(methylaminomethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-(methylaminomethyl)-1,3-thiazol-2-yl]ethyl]acetamide (CID 91664550) is N-[(1S)-1-[4-(methylaminomethyl)-1,3-thiazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-(methylaminomethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-(methylaminomethyl)-1,3-thiazol-2-yl]ethyl]acetamide is CNCc1csc([C@H](C)NC(C)=O)n1.
What is the InChIKey of N-[(1S)-1-[4-(methylaminomethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
The InChIKey is NHYBSCBAFRBZEB-LURJTMIESA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6(11-7(2)13)9-12-8(4-10-3)5-14-9/h5-6,10H,4H2,1-3H3,(H,11,13)/t6-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(methylaminomethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
N-[(1S)-1-[4-(methylaminomethyl)-1,3-thiazol-2-yl]ethyl]acetamide has a molecular weight of 213.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(methylaminomethyl)-1,3-thiazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 91664550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).