N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-amine

C11H19N3S — CID 83839704

IUPACN-propan-2-yl-N-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCC(C)N(CC1CCNC1)c1nccs1
InChIInChI=1S/C11H19N3S/c1-9(2)14(11-13-5-6-15-11)8-10-3-4-12-7-10/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyQVUXPQUTKMOARC-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.97
Rot. Bonds4

About N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-amine

N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 83839704) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-amine
PubChem CID83839704
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-propan-2-yl-N-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCC(C)N(CC1CCNC1)c1nccs1
InChIInChI=1S/C11H19N3S/c1-9(2)14(11-13-5-6-15-11)8-10-3-4-12-7-10/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyQVUXPQUTKMOARC-UHFFFAOYSA-N
XLogP1.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-N-propan-2-yl-1,3-thiazol-2-amine
CID 83839706
N-ethyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine
CID 63300017
N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,3-thiazol-2-amine;hydrochloride
CID 71641002
N-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 71641479
5-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 106643102
N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine
CID 106624840
N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazin-2-amine
CID 106643250
2-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-3-amine
CID 106643092
7-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 106643203
N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
CID 96996514
3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 79719273
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine
CID 106620797

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-amine (CID 83839704) is N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-amine is CC(C)N(CC1CCNC1)c1nccs1.
What is the InChIKey of N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is QVUXPQUTKMOARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9(2)14(11-13-5-6-15-11)8-10-3-4-12-7-10/h5-6,9-10,12H,3-4,7-8H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-amine?
N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 225.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83839704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).